HEADER MEMBRANE PROTEIN 19-JAN-19 6J8G
TITLE STRUCTURE OF HUMAN VOLTAGE-GATED SODIUM CHANNEL NAV1.7 IN COMPLEX WITH
TITLE 2 AUXILIARY BETA SUBUNITS, HUWENTOXIN-IV AND SAXITOXIN (Y1755 UP)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SODIUM CHANNEL SUBUNIT BETA-2;
COMPND 3 CHAIN: C;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: SODIUM CHANNEL PROTEIN TYPE 9 SUBUNIT ALPHA;
COMPND 7 CHAIN: A;
COMPND 8 SYNONYM: NEUROENDOCRINE SODIUM CHANNEL,HNE-NA,PERIPHERAL SODIUM
COMPND 9 CHANNEL 1,PN1,SODIUM CHANNEL PROTEIN TYPE IX SUBUNIT ALPHA,VOLTAGE-
COMPND 10 GATED SODIUM CHANNEL SUBUNIT ALPHA NAV1.7;
COMPND 11 ENGINEERED: YES;
COMPND 12 MOL_ID: 3;
COMPND 13 MOLECULE: SODIUM CHANNEL SUBUNIT BETA-1;
COMPND 14 CHAIN: B;
COMPND 15 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: SCN2B, UNQ326/PRO386;
SOURCE 6 EXPRESSION_SYSTEM: HOMO SAPIENS;
SOURCE 7 EXPRESSION_SYSTEM_COMMON: HUMAN;
SOURCE 8 EXPRESSION_SYSTEM_TAXID: 9606;
SOURCE 9 MOL_ID: 2;
SOURCE 10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 11 ORGANISM_COMMON: HUMAN;
SOURCE 12 ORGANISM_TAXID: 9606;
SOURCE 13 GENE: SCN9A, NENA;
SOURCE 14 EXPRESSION_SYSTEM: HOMO SAPIENS;
SOURCE 15 EXPRESSION_SYSTEM_COMMON: HUMAN;
SOURCE 16 EXPRESSION_SYSTEM_TAXID: 9606;
SOURCE 17 MOL_ID: 3;
SOURCE 18 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 19 ORGANISM_COMMON: HUMAN;
SOURCE 20 ORGANISM_TAXID: 9606;
SOURCE 21 GENE: SCN1B;
SOURCE 22 EXPRESSION_SYSTEM: HOMO SAPIENS;
SOURCE 23 EXPRESSION_SYSTEM_COMMON: HUMAN;
SOURCE 24 EXPRESSION_SYSTEM_TAXID: 9606
KEYWDS VOLTAGE-GATED SODIUM CHANNEL, MEMBRANE PROTEIN
EXPDTA ELECTRON MICROSCOPY
AUTHOR H.SHEN,D.LIU,J.LEI,N.YAN
REVDAT 4 29-JUL-20 6J8G 1 COMPND REMARK HETNAM LINK
REVDAT 4 2 1 SITE ATOM
REVDAT 3 06-NOV-19 6J8G 1 CRYST1 SCALE
REVDAT 2 10-APR-19 6J8G 1 JRNL
REVDAT 1 27-FEB-19 6J8G 0
JRNL AUTH H.SHEN,D.LIU,K.WU,J.LEI,N.YAN
JRNL TITL STRUCTURES OF HUMAN NAV1.7 CHANNEL IN COMPLEX WITH AUXILIARY
JRNL TITL 2 SUBUNITS AND ANIMAL TOXINS.
JRNL REF SCIENCE V. 363 1303 2019
JRNL REFN ESSN 1095-9203
JRNL PMID 30765606
JRNL DOI 10.1126/SCIENCE.AAW2493
REMARK 2
REMARK 2 RESOLUTION. 3.20 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 SOFTWARE PACKAGES : RELION
REMARK 3 RECONSTRUCTION SCHEMA : NULL
REMARK 3
REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT
REMARK 3 PDB ENTRY : NULL
REMARK 3 REFINEMENT SPACE : NULL
REMARK 3 REFINEMENT PROTOCOL : NULL
REMARK 3 REFINEMENT TARGET : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL
REMARK 3
REMARK 3 FITTING PROCEDURE : NULL
REMARK 3
REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS
REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL
REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL
REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 3.200
REMARK 3 NUMBER OF PARTICLES : 275630
REMARK 3 CTF CORRECTION METHOD : PHASE FLIPPING AND AMPLITUDE
REMARK 3 CORRECTION
REMARK 3
REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL
REMARK 3
REMARK 3 OTHER DETAILS: NULL
REMARK 4
REMARK 4 6J8G COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 31-JAN-19.
REMARK 100 THE DEPOSITION ID IS D_1300010630.
REMARK 245
REMARK 245 EXPERIMENTAL DETAILS
REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE
REMARK 245 SPECIMEN TYPE : NULL
REMARK 245
REMARK 245 ELECTRON MICROSCOPE SAMPLE
REMARK 245 SAMPLE TYPE : PARTICLE
REMARK 245 PARTICLE TYPE : POINT
REMARK 245 NAME OF SAMPLE : COMPLEX OF HUMAN VOLTAGE-GATED
REMARK 245 SODIUM CHANNEL NAV1.7 WITH
REMARK 245 AUXILIARY BETA SUBUNITS,
REMARK 245 HUWENTOXIN-IV AND SAXITOXIN
REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : NULL
REMARK 245 SAMPLE SUPPORT DETAILS : NULL
REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL
REMARK 245 SAMPLE BUFFER : NULL
REMARK 245 PH : 7.40
REMARK 245 SAMPLE DETAILS : NULL
REMARK 245
REMARK 245 DATA ACQUISITION
REMARK 245 DATE OF EXPERIMENT : NULL
REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : NULL
REMARK 245 TEMPERATURE (KELVIN) : NULL
REMARK 245 MICROSCOPE MODEL : FEI TITAN KRIOS
REMARK 245 DETECTOR TYPE : GATAN K2 QUANTUM (4K X 4K)
REMARK 245 MINIMUM DEFOCUS (NM) : NULL
REMARK 245 MAXIMUM DEFOCUS (NM) : NULL
REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL
REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL
REMARK 245 NOMINAL CS : NULL
REMARK 245 IMAGING MODE : BRIGHT FIELD
REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 48.00
REMARK 245 ILLUMINATION MODE : FLOOD BEAM
REMARK 245 NOMINAL MAGNIFICATION : NULL
REMARK 245 CALIBRATED MAGNIFICATION : NULL
REMARK 245 SOURCE : FIELD EMISSION GUN
REMARK 245 ACCELERATION VOLTAGE (KV) : 300
REMARK 245 IMAGING DETAILS : NULL
REMARK 247
REMARK 247 ELECTRON MICROSCOPY
REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON
REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE
REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES
REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION
REMARK 247 OF THE STRUCTURE FACTORS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, A, B, D, E
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSSEQI
REMARK 465 MET C 1
REMARK 465 HIS C 2
REMARK 465 ARG C 3
REMARK 465 ASP C 4
REMARK 465 ALA C 5
REMARK 465 TRP C 6
REMARK 465 LEU C 7
REMARK 465 PRO C 8
REMARK 465 ARG C 9
REMARK 465 PRO C 10
REMARK 465 ALA C 11
REMARK 465 PHE C 12
REMARK 465 SER C 13
REMARK 465 LEU C 14
REMARK 465 THR C 15
REMARK 465 GLY C 16
REMARK 465 LEU C 17
REMARK 465 SER C 18
REMARK 465 LEU C 19
REMARK 465 PHE C 20
REMARK 465 PHE C 21
REMARK 465 SER C 22
REMARK 465 LEU C 23
REMARK 465 VAL C 24
REMARK 465 PRO C 25
REMARK 465 PRO C 26
REMARK 465 GLY C 27
REMARK 465 ARG C 28
REMARK 465 GLU C 149
REMARK 465 GLU C 150
REMARK 465 PRO C 151
REMARK 465 PRO C 152
REMARK 465 GLU C 153
REMARK 465 ARG C 154
REMARK 465 ASP C 155
REMARK 465 SER C 156
REMARK 465 THR C 157
REMARK 465 VAL C 158
REMARK 465 ALA C 159
REMARK 465 VAL C 160
REMARK 465 ILE C 161
REMARK 465 VAL C 162
REMARK 465 GLY C 163
REMARK 465 ALA C 164
REMARK 465 SER C 165
REMARK 465 VAL C 166
REMARK 465 GLY C 167
REMARK 465 GLY C 168
REMARK 465 PHE C 169
REMARK 465 LEU C 170
REMARK 465 ALA C 171
REMARK 465 VAL C 172
REMARK 465 VAL C 173
REMARK 465 ILE C 174
REMARK 465 LEU C 175
REMARK 465 VAL C 176
REMARK 465 LEU C 177
REMARK 465 MET C 178
REMARK 465 VAL C 179
REMARK 465 VAL C 180
REMARK 465 LYS C 181
REMARK 465 CYS C 182
REMARK 465 VAL C 183
REMARK 465 ARG C 184
REMARK 465 ARG C 185
REMARK 465 LYS C 186
REMARK 465 LYS C 187
REMARK 465 GLU C 188
REMARK 465 GLN C 189
REMARK 465 LYS C 190
REMARK 465 LEU C 191
REMARK 465 SER C 192
REMARK 465 THR C 193
REMARK 465 ASP C 194
REMARK 465 ASP C 195
REMARK 465 LEU C 196
REMARK 465 LYS C 197
REMARK 465 THR C 198
REMARK 465 GLU C 199
REMARK 465 GLU C 200
REMARK 465 GLU C 201
REMARK 465 GLY C 202
REMARK 465 LYS C 203
REMARK 465 THR C 204
REMARK 465 ASP C 205
REMARK 465 GLY C 206
REMARK 465 GLU C 207
REMARK 465 GLY C 208
REMARK 465 ASN C 209
REMARK 465 PRO C 210
REMARK 465 ASP C 211
REMARK 465 ASP C 212
REMARK 465 GLY C 213
REMARK 465 ALA C 214
REMARK 465 LYS C 215
REMARK 465 MET A -42
REMARK 465 ALA A -41
REMARK 465 SER A -40
REMARK 465 TRP A -39
REMARK 465 SER A -38
REMARK 465 HIS A -37
REMARK 465 PRO A -36
REMARK 465 GLN A -35
REMARK 465 PHE A -34
REMARK 465 GLU A -33
REMARK 465 LYS A -32
REMARK 465 GLY A -31
REMARK 465 GLY A -30
REMARK 465 GLY A -29
REMARK 465 ALA A -28
REMARK 465 ARG A -27
REMARK 465 GLY A -26
REMARK 465 GLY A -25
REMARK 465 SER A -24
REMARK 465 GLY A -23
REMARK 465 GLY A -22
REMARK 465 GLY A -21
REMARK 465 SER A -20
REMARK 465 TRP A -19
REMARK 465 SER A -18
REMARK 465 HIS A -17
REMARK 465 PRO A -16
REMARK 465 GLN A -15
REMARK 465 PHE A -14
REMARK 465 GLU A -13
REMARK 465 LYS A -12
REMARK 465 GLY A -11
REMARK 465 PHE A -10
REMARK 465 ASP A -9
REMARK 465 TYR A -8
REMARK 465 LYS A -7
REMARK 465 ASP A -6
REMARK 465 ASP A -5
REMARK 465 ASP A -4
REMARK 465 ASP A -3
REMARK 465 LYS A -2
REMARK 465 GLY A -1
REMARK 465 THR A 0
REMARK 465 MET A 1
REMARK 465 ALA A 2
REMARK 465 MET A 3
REMARK 465 LEU A 4
REMARK 465 PRO A 5
REMARK 465 PRO A 6
REMARK 465 PRO A 7
REMARK 465 GLY A 8
REMARK 465 PRO A 9
REMARK 465 GLN A 10
REMARK 465 SER A 11
REMARK 465 PHE A 12
REMARK 465 VAL A 13
REMARK 465 HIS A 14
REMARK 465 PHE A 15
REMARK 465 THR A 16
REMARK 465 LYS A 17
REMARK 465 GLN A 18
REMARK 465 SER A 19
REMARK 465 LEU A 20
REMARK 465 ALA A 21
REMARK 465 LEU A 22
REMARK 465 ILE A 23
REMARK 465 GLU A 24
REMARK 465 GLN A 25
REMARK 465 ARG A 26
REMARK 465 ILE A 27
REMARK 465 ALA A 28
REMARK 465 GLU A 29
REMARK 465 ARG A 30
REMARK 465 LYS A 31
REMARK 465 SER A 32
REMARK 465 LYS A 33
REMARK 465 GLU A 34
REMARK 465 PRO A 35
REMARK 465 LYS A 36
REMARK 465 GLU A 37
REMARK 465 GLU A 38
REMARK 465 LYS A 39
REMARK 465 LYS A 40
REMARK 465 ASP A 41
REMARK 465 ASP A 42
REMARK 465 ASP A 43
REMARK 465 GLU A 44
REMARK 465 GLU A 45
REMARK 465 ALA A 46
REMARK 465 PRO A 47
REMARK 465 LYS A 48
REMARK 465 PRO A 49
REMARK 465 SER A 50
REMARK 465 SER A 51
REMARK 465 ASP A 52
REMARK 465 LEU A 53
REMARK 465 GLU A 54
REMARK 465 ALA A 55
REMARK 465 GLY A 56
REMARK 465 LYS A 57
REMARK 465 GLN A 58
REMARK 465 LEU A 59
REMARK 465 PRO A 60
REMARK 465 PHE A 61
REMARK 465 ILE A 62
REMARK 465 TYR A 63
REMARK 465 GLY A 64
REMARK 465 ASP A 65
REMARK 465 ILE A 66
REMARK 465 PRO A 67
REMARK 465 PRO A 68
REMARK 465 GLY A 69
REMARK 465 MET A 70
REMARK 465 VAL A 71
REMARK 465 SER A 72
REMARK 465 GLU A 73
REMARK 465 PRO A 74
REMARK 465 LEU A 75
REMARK 465 GLU A 76
REMARK 465 ASP A 77
REMARK 465 LEU A 78
REMARK 465 ASP A 79
REMARK 465 PRO A 80
REMARK 465 TYR A 81
REMARK 465 TYR A 82
REMARK 465 ALA A 83
REMARK 465 ASP A 84
REMARK 465 LYS A 85
REMARK 465 LYS A 86
REMARK 465 THR A 87
REMARK 465 PHE A 88
REMARK 465 ILE A 89
REMARK 465 VAL A 90
REMARK 465 LEU A 91
REMARK 465 ASN A 92
REMARK 465 LYS A 93
REMARK 465 GLY A 94
REMARK 465 LYS A 95
REMARK 465 THR A 96
REMARK 465 ILE A 97
REMARK 465 PHE A 98
REMARK 465 ARG A 99
REMARK 465 PHE A 100
REMARK 465 ASN A 101
REMARK 465 ALA A 102
REMARK 465 THR A 103
REMARK 465 PRO A 104
REMARK 465 ALA A 105
REMARK 465 LEU A 106
REMARK 465 TYR A 107
REMARK 465 MET A 108
REMARK 465 LEU A 109
REMARK 465 SER A 110
REMARK 465 PRO A 111
REMARK 465 PHE A 112
REMARK 465 SER A 113
REMARK 465 GLN A 418
REMARK 465 LYS A 419
REMARK 465 GLU A 420
REMARK 465 LEU A 421
REMARK 465 GLU A 422
REMARK 465 PHE A 423
REMARK 465 GLN A 424
REMARK 465 GLN A 425
REMARK 465 MET A 426
REMARK 465 LEU A 427
REMARK 465 ASP A 428
REMARK 465 ARG A 429
REMARK 465 LEU A 430
REMARK 465 LYS A 431
REMARK 465 LYS A 432
REMARK 465 GLU A 433
REMARK 465 GLN A 434
REMARK 465 GLU A 435
REMARK 465 GLU A 436
REMARK 465 ALA A 437
REMARK 465 GLU A 438
REMARK 465 ALA A 439
REMARK 465 ILE A 440
REMARK 465 ALA A 441
REMARK 465 ALA A 442
REMARK 465 ALA A 443
REMARK 465 ALA A 444
REMARK 465 ALA A 445
REMARK 465 GLU A 446
REMARK 465 TYR A 447
REMARK 465 THR A 448
REMARK 465 SER A 449
REMARK 465 ILE A 450
REMARK 465 ARG A 451
REMARK 465 ARG A 452
REMARK 465 SER A 453
REMARK 465 ARG A 454
REMARK 465 ILE A 455
REMARK 465 MET A 456
REMARK 465 GLY A 457
REMARK 465 LEU A 458
REMARK 465 SER A 459
REMARK 465 GLU A 460
REMARK 465 SER A 461
REMARK 465 SER A 462
REMARK 465 SER A 463
REMARK 465 GLU A 464
REMARK 465 THR A 465
REMARK 465 SER A 466
REMARK 465 LYS A 467
REMARK 465 LEU A 468
REMARK 465 SER A 469
REMARK 465 SER A 470
REMARK 465 LYS A 471
REMARK 465 SER A 472
REMARK 465 ALA A 473
REMARK 465 LYS A 474
REMARK 465 GLU A 475
REMARK 465 ARG A 476
REMARK 465 ARG A 477
REMARK 465 ASN A 478
REMARK 465 ARG A 479
REMARK 465 ARG A 480
REMARK 465 LYS A 481
REMARK 465 LYS A 482
REMARK 465 LYS A 483
REMARK 465 ASN A 484
REMARK 465 GLN A 485
REMARK 465 LYS A 486
REMARK 465 LYS A 487
REMARK 465 LEU A 488
REMARK 465 SER A 489
REMARK 465 SER A 490
REMARK 465 GLY A 491
REMARK 465 GLU A 492
REMARK 465 GLU A 493
REMARK 465 LYS A 494
REMARK 465 GLY A 495
REMARK 465 ASP A 496
REMARK 465 ALA A 497
REMARK 465 GLU A 498
REMARK 465 LYS A 499
REMARK 465 LEU A 500
REMARK 465 SER A 501
REMARK 465 LYS A 502
REMARK 465 SER A 503
REMARK 465 GLU A 504
REMARK 465 SER A 505
REMARK 465 GLU A 506
REMARK 465 ASP A 507
REMARK 465 SER A 508
REMARK 465 ILE A 509
REMARK 465 ARG A 510
REMARK 465 ARG A 511
REMARK 465 LYS A 512
REMARK 465 SER A 513
REMARK 465 PHE A 514
REMARK 465 HIS A 515
REMARK 465 LEU A 516
REMARK 465 GLY A 517
REMARK 465 VAL A 518
REMARK 465 GLU A 519
REMARK 465 GLY A 520
REMARK 465 HIS A 521
REMARK 465 ARG A 522
REMARK 465 ARG A 523
REMARK 465 ALA A 524
REMARK 465 HIS A 525
REMARK 465 GLU A 526
REMARK 465 LYS A 527
REMARK 465 ARG A 528
REMARK 465 LEU A 529
REMARK 465 SER A 530
REMARK 465 THR A 531
REMARK 465 PRO A 532
REMARK 465 ASN A 533
REMARK 465 GLN A 534
REMARK 465 SER A 535
REMARK 465 PRO A 536
REMARK 465 LEU A 537
REMARK 465 SER A 538
REMARK 465 ILE A 539
REMARK 465 ARG A 540
REMARK 465 GLY A 541
REMARK 465 SER A 542
REMARK 465 LEU A 543
REMARK 465 PHE A 544
REMARK 465 SER A 545
REMARK 465 ALA A 546
REMARK 465 ARG A 547
REMARK 465 ARG A 548
REMARK 465 SER A 549
REMARK 465 SER A 550
REMARK 465 ARG A 551
REMARK 465 THR A 552
REMARK 465 SER A 553
REMARK 465 LEU A 554
REMARK 465 PHE A 555
REMARK 465 SER A 556
REMARK 465 PHE A 557
REMARK 465 LYS A 558
REMARK 465 GLY A 559
REMARK 465 ARG A 560
REMARK 465 GLY A 561
REMARK 465 ARG A 562
REMARK 465 ASP A 563
REMARK 465 ILE A 564
REMARK 465 GLY A 565
REMARK 465 SER A 566
REMARK 465 GLU A 567
REMARK 465 THR A 568
REMARK 465 GLU A 569
REMARK 465 PHE A 570
REMARK 465 ALA A 571
REMARK 465 ASP A 572
REMARK 465 ASP A 573
REMARK 465 GLU A 574
REMARK 465 HIS A 575
REMARK 465 SER A 576
REMARK 465 ILE A 577
REMARK 465 PHE A 578
REMARK 465 GLY A 579
REMARK 465 ASP A 580
REMARK 465 ASN A 581
REMARK 465 GLU A 582
REMARK 465 SER A 583
REMARK 465 ARG A 584
REMARK 465 ARG A 585
REMARK 465 GLY A 586
REMARK 465 SER A 587
REMARK 465 LEU A 588
REMARK 465 PHE A 589
REMARK 465 VAL A 590
REMARK 465 PRO A 591
REMARK 465 HIS A 592
REMARK 465 ARG A 593
REMARK 465 PRO A 594
REMARK 465 GLN A 595
REMARK 465 GLU A 596
REMARK 465 ARG A 597
REMARK 465 ARG A 598
REMARK 465 SER A 599
REMARK 465 SER A 600
REMARK 465 ASN A 601
REMARK 465 ILE A 602
REMARK 465 SER A 603
REMARK 465 GLN A 604
REMARK 465 ALA A 605
REMARK 465 SER A 606
REMARK 465 ARG A 607
REMARK 465 SER A 608
REMARK 465 PRO A 609
REMARK 465 PRO A 610
REMARK 465 MET A 611
REMARK 465 LEU A 612
REMARK 465 PRO A 613
REMARK 465 VAL A 614
REMARK 465 ASN A 615
REMARK 465 GLY A 616
REMARK 465 LYS A 617
REMARK 465 MET A 618
REMARK 465 HIS A 619
REMARK 465 SER A 620
REMARK 465 ALA A 621
REMARK 465 VAL A 622
REMARK 465 ASP A 623
REMARK 465 CYS A 624
REMARK 465 ASN A 625
REMARK 465 GLY A 626
REMARK 465 VAL A 627
REMARK 465 VAL A 628
REMARK 465 SER A 629
REMARK 465 LEU A 630
REMARK 465 VAL A 631
REMARK 465 ASP A 632
REMARK 465 GLY A 633
REMARK 465 ARG A 634
REMARK 465 SER A 635
REMARK 465 ALA A 636
REMARK 465 LEU A 637
REMARK 465 MET A 638
REMARK 465 LEU A 639
REMARK 465 PRO A 640
REMARK 465 ASN A 641
REMARK 465 GLY A 642
REMARK 465 GLN A 643
REMARK 465 LEU A 644
REMARK 465 LEU A 645
REMARK 465 PRO A 646
REMARK 465 GLU A 647
REMARK 465 VAL A 648
REMARK 465 ILE A 649
REMARK 465 ILE A 650
REMARK 465 ASP A 651
REMARK 465 LYS A 652
REMARK 465 ALA A 653
REMARK 465 THR A 654
REMARK 465 SER A 655
REMARK 465 ASP A 656
REMARK 465 ASP A 657
REMARK 465 SER A 658
REMARK 465 GLY A 659
REMARK 465 THR A 660
REMARK 465 THR A 661
REMARK 465 ASN A 662
REMARK 465 GLN A 663
REMARK 465 ILE A 664
REMARK 465 HIS A 665
REMARK 465 LYS A 666
REMARK 465 LYS A 667
REMARK 465 ARG A 668
REMARK 465 ARG A 669
REMARK 465 CYS A 670
REMARK 465 SER A 671
REMARK 465 SER A 672
REMARK 465 TYR A 673
REMARK 465 LEU A 674
REMARK 465 LEU A 675
REMARK 465 SER A 676
REMARK 465 GLU A 677
REMARK 465 ASP A 678
REMARK 465 MET A 679
REMARK 465 LEU A 680
REMARK 465 ASN A 681
REMARK 465 ASP A 682
REMARK 465 PRO A 683
REMARK 465 ASN A 684
REMARK 465 LEU A 685
REMARK 465 ARG A 686
REMARK 465 GLN A 687
REMARK 465 ARG A 688
REMARK 465 ALA A 689
REMARK 465 MET A 690
REMARK 465 SER A 691
REMARK 465 ARG A 692
REMARK 465 ALA A 693
REMARK 465 SER A 694
REMARK 465 ILE A 695
REMARK 465 LEU A 696
REMARK 465 THR A 697
REMARK 465 ASN A 698
REMARK 465 THR A 699
REMARK 465 VAL A 700
REMARK 465 GLU A 701
REMARK 465 GLU A 702
REMARK 465 LEU A 703
REMARK 465 GLU A 704
REMARK 465 GLU A 705
REMARK 465 SER A 706
REMARK 465 ARG A 707
REMARK 465 GLN A 708
REMARK 465 LYS A 709
REMARK 465 CYS A 710
REMARK 465 PRO A 711
REMARK 465 PRO A 712
REMARK 465 TRP A 713
REMARK 465 TRP A 714
REMARK 465 TYR A 715
REMARK 465 ARG A 716
REMARK 465 PHE A 717
REMARK 465 ALA A 718
REMARK 465 HIS A 719
REMARK 465 LYS A 720
REMARK 465 PHE A 721
REMARK 465 LEU A 722
REMARK 465 ILE A 723
REMARK 465 TRP A 724
REMARK 465 ASN A 725
REMARK 465 ALA A 826
REMARK 465 ASP A 827
REMARK 465 VAL A 828
REMARK 465 GLU A 829
REMARK 465 GLY A 830
REMARK 465 SER A 973
REMARK 465 ASP A 974
REMARK 465 ASN A 975
REMARK 465 LEU A 976
REMARK 465 THR A 977
REMARK 465 ALA A 978
REMARK 465 ILE A 979
REMARK 465 GLU A 980
REMARK 465 GLU A 981
REMARK 465 ASP A 982
REMARK 465 PRO A 983
REMARK 465 ASP A 984
REMARK 465 ALA A 985
REMARK 465 ASN A 986
REMARK 465 ASN A 987
REMARK 465 LEU A 988
REMARK 465 GLN A 989
REMARK 465 ILE A 990
REMARK 465 ALA A 991
REMARK 465 VAL A 992
REMARK 465 THR A 993
REMARK 465 ARG A 994
REMARK 465 ILE A 995
REMARK 465 LYS A 996
REMARK 465 LYS A 997
REMARK 465 GLY A 998
REMARK 465 ILE A 999
REMARK 465 ASN A 1000
REMARK 465 TYR A 1001
REMARK 465 VAL A 1002
REMARK 465 LYS A 1003
REMARK 465 GLN A 1004
REMARK 465 THR A 1005
REMARK 465 LEU A 1006
REMARK 465 ARG A 1007
REMARK 465 GLU A 1008
REMARK 465 PHE A 1009
REMARK 465 ILE A 1010
REMARK 465 LEU A 1011
REMARK 465 LYS A 1012
REMARK 465 ALA A 1013
REMARK 465 PHE A 1014
REMARK 465 SER A 1015
REMARK 465 LYS A 1016
REMARK 465 LYS A 1017
REMARK 465 PRO A 1018
REMARK 465 LYS A 1019
REMARK 465 ILE A 1020
REMARK 465 SER A 1021
REMARK 465 ARG A 1022
REMARK 465 GLU A 1023
REMARK 465 ILE A 1024
REMARK 465 ARG A 1025
REMARK 465 GLN A 1026
REMARK 465 ALA A 1027
REMARK 465 GLU A 1028
REMARK 465 ASP A 1029
REMARK 465 LEU A 1030
REMARK 465 ASN A 1031
REMARK 465 THR A 1032
REMARK 465 LYS A 1033
REMARK 465 LYS A 1034
REMARK 465 GLU A 1035
REMARK 465 ASN A 1036
REMARK 465 TYR A 1037
REMARK 465 ILE A 1038
REMARK 465 SER A 1039
REMARK 465 ASN A 1040
REMARK 465 HIS A 1041
REMARK 465 THR A 1042
REMARK 465 LEU A 1043
REMARK 465 ALA A 1044
REMARK 465 GLU A 1045
REMARK 465 MET A 1046
REMARK 465 SER A 1047
REMARK 465 LYS A 1048
REMARK 465 GLY A 1049
REMARK 465 HIS A 1050
REMARK 465 ASN A 1051
REMARK 465 PHE A 1052
REMARK 465 LEU A 1053
REMARK 465 LYS A 1054
REMARK 465 GLU A 1055
REMARK 465 LYS A 1056
REMARK 465 ASP A 1057
REMARK 465 LYS A 1058
REMARK 465 ILE A 1059
REMARK 465 SER A 1060
REMARK 465 GLY A 1061
REMARK 465 PHE A 1062
REMARK 465 GLY A 1063
REMARK 465 SER A 1064
REMARK 465 SER A 1065
REMARK 465 VAL A 1066
REMARK 465 ASP A 1067
REMARK 465 LYS A 1068
REMARK 465 HIS A 1069
REMARK 465 LEU A 1070
REMARK 465 MET A 1071
REMARK 465 GLU A 1072
REMARK 465 ASP A 1073
REMARK 465 SER A 1074
REMARK 465 ASP A 1075
REMARK 465 GLY A 1076
REMARK 465 GLN A 1077
REMARK 465 SER A 1078
REMARK 465 PHE A 1079
REMARK 465 ILE A 1080
REMARK 465 HIS A 1081
REMARK 465 ASN A 1082
REMARK 465 PRO A 1083
REMARK 465 SER A 1084
REMARK 465 LEU A 1085
REMARK 465 THR A 1086
REMARK 465 VAL A 1087
REMARK 465 THR A 1088
REMARK 465 VAL A 1089
REMARK 465 PRO A 1090
REMARK 465 ILE A 1091
REMARK 465 ALA A 1092
REMARK 465 PRO A 1093
REMARK 465 GLY A 1094
REMARK 465 GLU A 1095
REMARK 465 SER A 1096
REMARK 465 ASP A 1097
REMARK 465 LEU A 1098
REMARK 465 GLU A 1099
REMARK 465 ASN A 1100
REMARK 465 MET A 1101
REMARK 465 ASN A 1102
REMARK 465 ALA A 1103
REMARK 465 GLU A 1104
REMARK 465 GLU A 1105
REMARK 465 LEU A 1106
REMARK 465 SER A 1107
REMARK 465 SER A 1108
REMARK 465 ASP A 1109
REMARK 465 SER A 1110
REMARK 465 ASP A 1111
REMARK 465 SER A 1112
REMARK 465 GLU A 1113
REMARK 465 TYR A 1114
REMARK 465 SER A 1115
REMARK 465 LYS A 1116
REMARK 465 VAL A 1117
REMARK 465 ARG A 1118
REMARK 465 LEU A 1119
REMARK 465 ASN A 1120
REMARK 465 ARG A 1121
REMARK 465 SER A 1122
REMARK 465 SER A 1123
REMARK 465 SER A 1124
REMARK 465 SER A 1125
REMARK 465 GLU A 1126
REMARK 465 CYS A 1127
REMARK 465 SER A 1128
REMARK 465 THR A 1129
REMARK 465 VAL A 1130
REMARK 465 ASP A 1131
REMARK 465 ASN A 1132
REMARK 465 PRO A 1133
REMARK 465 LEU A 1134
REMARK 465 PRO A 1135
REMARK 465 GLY A 1136
REMARK 465 GLU A 1137
REMARK 465 GLY A 1138
REMARK 465 GLU A 1139
REMARK 465 GLU A 1140
REMARK 465 ALA A 1141
REMARK 465 GLU A 1142
REMARK 465 ALA A 1143
REMARK 465 GLU A 1144
REMARK 465 PRO A 1145
REMARK 465 MET A 1146
REMARK 465 ASN A 1147
REMARK 465 SER A 1148
REMARK 465 ASP A 1149
REMARK 465 GLU A 1150
REMARK 465 PRO A 1151
REMARK 465 GLU A 1152
REMARK 465 ALA A 1153
REMARK 465 CYS A 1154
REMARK 465 PHE A 1155
REMARK 465 THR A 1156
REMARK 465 ASP A 1157
REMARK 465 GLY A 1158
REMARK 465 CYS A 1159
REMARK 465 VAL A 1160
REMARK 465 TRP A 1161
REMARK 465 ARG A 1162
REMARK 465 PHE A 1163
REMARK 465 SER A 1164
REMARK 465 CYS A 1165
REMARK 465 CYS A 1166
REMARK 465 GLN A 1167
REMARK 465 VAL A 1168
REMARK 465 ASN A 1169
REMARK 465 ILE A 1170
REMARK 465 GLU A 1171
REMARK 465 SER A 1172
REMARK 465 GLY A 1173
REMARK 465 LYS A 1174
REMARK 465 GLU A 1769
REMARK 465 SER A 1770
REMARK 465 THR A 1771
REMARK 465 GLU A 1772
REMARK 465 PRO A 1773
REMARK 465 LEU A 1774
REMARK 465 SER A 1775
REMARK 465 GLU A 1776
REMARK 465 ASP A 1777
REMARK 465 ASP A 1778
REMARK 465 PHE A 1779
REMARK 465 GLU A 1780
REMARK 465 MET A 1781
REMARK 465 PHE A 1782
REMARK 465 TYR A 1783
REMARK 465 GLU A 1784
REMARK 465 VAL A 1785
REMARK 465 TRP A 1786
REMARK 465 GLU A 1787
REMARK 465 LYS A 1788
REMARK 465 PHE A 1789
REMARK 465 ASP A 1790
REMARK 465 PRO A 1791
REMARK 465 ASP A 1792
REMARK 465 ALA A 1793
REMARK 465 THR A 1794
REMARK 465 GLN A 1795
REMARK 465 PHE A 1796
REMARK 465 ILE A 1797
REMARK 465 GLU A 1798
REMARK 465 PHE A 1799
REMARK 465 SER A 1800
REMARK 465 LYS A 1801
REMARK 465 LEU A 1802
REMARK 465 SER A 1803
REMARK 465 ASP A 1804
REMARK 465 PHE A 1805
REMARK 465 ALA A 1806
REMARK 465 ALA A 1807
REMARK 465 ALA A 1808
REMARK 465 LEU A 1809
REMARK 465 ASP A 1810
REMARK 465 PRO A 1811
REMARK 465 PRO A 1812
REMARK 465 LEU A 1813
REMARK 465 LEU A 1814
REMARK 465 ILE A 1815
REMARK 465 ALA A 1816
REMARK 465 LYS A 1817
REMARK 465 PRO A 1818
REMARK 465 ASN A 1819
REMARK 465 LYS A 1820
REMARK 465 VAL A 1821
REMARK 465 GLN A 1822
REMARK 465 LEU A 1823
REMARK 465 ILE A 1824
REMARK 465 ALA A 1825
REMARK 465 MET A 1826
REMARK 465 ASP A 1827
REMARK 465 LEU A 1828
REMARK 465 PRO A 1829
REMARK 465 MET A 1830
REMARK 465 VAL A 1831
REMARK 465 SER A 1832
REMARK 465 GLY A 1833
REMARK 465 ASP A 1834
REMARK 465 ARG A 1835
REMARK 465 ILE A 1836
REMARK 465 HIS A 1837
REMARK 465 CYS A 1838
REMARK 465 LEU A 1839
REMARK 465 ASP A 1840
REMARK 465 ILE A 1841
REMARK 465 LEU A 1842
REMARK 465 PHE A 1843
REMARK 465 ALA A 1844
REMARK 465 PHE A 1845
REMARK 465 THR A 1846
REMARK 465 LYS A 1847
REMARK 465 ARG A 1848
REMARK 465 VAL A 1849
REMARK 465 LEU A 1850
REMARK 465 GLY A 1851
REMARK 465 GLU A 1852
REMARK 465 SER A 1853
REMARK 465 GLY A 1854
REMARK 465 GLU A 1855
REMARK 465 MET A 1856
REMARK 465 ASP A 1857
REMARK 465 SER A 1858
REMARK 465 LEU A 1859
REMARK 465 ARG A 1860
REMARK 465 SER A 1861
REMARK 465 GLN A 1862
REMARK 465 MET A 1863
REMARK 465 GLU A 1864
REMARK 465 GLU A 1865
REMARK 465 ARG A 1866
REMARK 465 PHE A 1867
REMARK 465 MET A 1868
REMARK 465 SER A 1869
REMARK 465 ALA A 1870
REMARK 465 ASN A 1871
REMARK 465 PRO A 1872
REMARK 465 SER A 1873
REMARK 465 LYS A 1874
REMARK 465 VAL A 1875
REMARK 465 SER A 1876
REMARK 465 TYR A 1877
REMARK 465 GLU A 1878
REMARK 465 PRO A 1879
REMARK 465 ILE A 1880
REMARK 465 THR A 1881
REMARK 465 THR A 1882
REMARK 465 THR A 1883
REMARK 465 LEU A 1884
REMARK 465 LYS A 1885
REMARK 465 ARG A 1886
REMARK 465 LYS A 1887
REMARK 465 GLN A 1888
REMARK 465 GLU A 1889
REMARK 465 ASP A 1890
REMARK 465 VAL A 1891
REMARK 465 SER A 1892
REMARK 465 ALA A 1893
REMARK 465 THR A 1894
REMARK 465 VAL A 1895
REMARK 465 ILE A 1896
REMARK 465 GLN A 1897
REMARK 465 ARG A 1898
REMARK 465 ALA A 1899
REMARK 465 TYR A 1900
REMARK 465 ARG A 1901
REMARK 465 ARG A 1902
REMARK 465 TYR A 1903
REMARK 465 ARG A 1904
REMARK 465 LEU A 1905
REMARK 465 ARG A 1906
REMARK 465 GLN A 1907
REMARK 465 ASN A 1908
REMARK 465 VAL A 1909
REMARK 465 LYS A 1910
REMARK 465 ASN A 1911
REMARK 465 ILE A 1912
REMARK 465 SER A 1913
REMARK 465 SER A 1914
REMARK 465 ILE A 1915
REMARK 465 TYR A 1916
REMARK 465 ILE A 1917
REMARK 465 LYS A 1918
REMARK 465 ASP A 1919
REMARK 465 GLY A 1920
REMARK 465 ASP A 1921
REMARK 465 ARG A 1922
REMARK 465 ASP A 1923
REMARK 465 ASP A 1924
REMARK 465 ASP A 1925
REMARK 465 LEU A 1926
REMARK 465 LEU A 1927
REMARK 465 ASN A 1928
REMARK 465 LYS A 1929
REMARK 465 LYS A 1930
REMARK 465 ASP A 1931
REMARK 465 MET A 1932
REMARK 465 ALA A 1933
REMARK 465 PHE A 1934
REMARK 465 ASP A 1935
REMARK 465 ASN A 1936
REMARK 465 VAL A 1937
REMARK 465 ASN A 1938
REMARK 465 GLU A 1939
REMARK 465 ASN A 1940
REMARK 465 SER A 1941
REMARK 465 SER A 1942
REMARK 465 PRO A 1943
REMARK 465 GLU A 1944
REMARK 465 LYS A 1945
REMARK 465 THR A 1946
REMARK 465 ASP A 1947
REMARK 465 ALA A 1948
REMARK 465 THR A 1949
REMARK 465 SER A 1950
REMARK 465 SER A 1951
REMARK 465 THR A 1952
REMARK 465 THR A 1953
REMARK 465 SER A 1954
REMARK 465 PRO A 1955
REMARK 465 PRO A 1956
REMARK 465 SER A 1957
REMARK 465 TYR A 1958
REMARK 465 ASP A 1959
REMARK 465 SER A 1960
REMARK 465 VAL A 1961
REMARK 465 THR A 1962
REMARK 465 LYS A 1963
REMARK 465 PRO A 1964
REMARK 465 ASP A 1965
REMARK 465 LYS A 1966
REMARK 465 GLU A 1967
REMARK 465 LYS A 1968
REMARK 465 TYR A 1969
REMARK 465 GLU A 1970
REMARK 465 GLN A 1971
REMARK 465 ASP A 1972
REMARK 465 ARG A 1973
REMARK 465 THR A 1974
REMARK 465 GLU A 1975
REMARK 465 LYS A 1976
REMARK 465 GLU A 1977
REMARK 465 ASP A 1978
REMARK 465 LYS A 1979
REMARK 465 GLY A 1980
REMARK 465 LYS A 1981
REMARK 465 ASP A 1982
REMARK 465 SER A 1983
REMARK 465 LYS A 1984
REMARK 465 GLU A 1985
REMARK 465 SER A 1986
REMARK 465 LYS A 1987
REMARK 465 LYS A 1988
REMARK 465 MET B 1
REMARK 465 GLY B 2
REMARK 465 ARG B 3
REMARK 465 LEU B 4
REMARK 465 LEU B 5
REMARK 465 ALA B 6
REMARK 465 LEU B 7
REMARK 465 VAL B 8
REMARK 465 VAL B 9
REMARK 465 GLY B 10
REMARK 465 ALA B 11
REMARK 465 ALA B 12
REMARK 465 LEU B 13
REMARK 465 VAL B 14
REMARK 465 SER B 15
REMARK 465 SER B 16
REMARK 465 ALA B 17
REMARK 465 CYS B 18
REMARK 465 GLY B 19
REMARK 465 ALA B 193
REMARK 465 GLN B 194
REMARK 465 GLU B 195
REMARK 465 ASN B 196
REMARK 465 ALA B 197
REMARK 465 SER B 198
REMARK 465 GLU B 199
REMARK 465 TYR B 200
REMARK 465 LEU B 201
REMARK 465 ALA B 202
REMARK 465 ILE B 203
REMARK 465 THR B 204
REMARK 465 SER B 205
REMARK 465 GLU B 206
REMARK 465 SER B 207
REMARK 465 LYS B 208
REMARK 465 GLU B 209
REMARK 465 ASN B 210
REMARK 465 CYS B 211
REMARK 465 THR B 212
REMARK 465 GLY B 213
REMARK 465 VAL B 214
REMARK 465 GLN B 215
REMARK 465 VAL B 216
REMARK 465 ALA B 217
REMARK 465 GLU B 218
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 ND2 ASN A 1352 O5 NAG D 1 1.99
REMARK 500 OD1 ASN A 1375 O5 NAG A 2005 2.03
REMARK 500 O SER A 1430 N TYR A 1432 2.04
REMARK 500 NE2 GLN A 360 OG SER A 390 2.05
REMARK 500 NH2 ARG B 60 OD2 ASP B 118 2.05
REMARK 500 OH TYR A 378 NH1 ARG A 1610 2.06
REMARK 500 O GLY A 1284 N LYS A 1287 2.06
REMARK 500 O ARG A 214 CG ARG A 217 2.07
REMARK 500 O CYS A 895 N CYS A 897 2.09
REMARK 500 CD2 TYR C 128 NH2 ARG C 137 2.09
REMARK 500 CB ARG B 60 O GLU B 66 2.09
REMARK 500 CG2 ILE A 1497 CD2 TYR A 1572 2.09
REMARK 500 OD1 ASN A 1384 ND2 ASN A 1388 2.09
REMARK 500 O GLN C 62 CD PRO C 132 2.11
REMARK 500 CE2 PHE C 101 O GLY C 103 2.11
REMARK 500 CG ASN B 93 C1 NAG B 301 2.11
REMARK 500 O ALA A 881 OG SER A 916 2.13
REMARK 500 NZ LYS A 734 OD2 ASP A 799 2.13
REMARK 500 O GLU A 1212 CE MET A 1663 2.14
REMARK 500 O ILE A 1202 OG SER A 1206 2.14
REMARK 500 O TYR A 157 CG2 THR A 160 2.14
REMARK 500 ND2 ASN C 66 O5 NAG C 301 2.14
REMARK 500 O THR C 33 N THR C 51 2.15
REMARK 500 ND2 ASN B 114 C2 NAG B 303 2.15
REMARK 500 O CYS B 40 O LEU B 104 2.16
REMARK 500 SD MET C 30 O HIS C 136 2.17
REMARK 500 OD2 ASP A 1677 NH1 ARG B 46 2.18
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 CYS C 127 CB CYS C 127 SG 0.190
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 CYS C 127 CA - CB - SG ANGL. DEV. = 14.0 DEGREES
REMARK 500 CYS A 925 N - CA - C ANGL. DEV. = -16.6 DEGREES
REMARK 500 PRO A1713 C - N - CD ANGL. DEV. = 17.1 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 TYR C 56 -175.44 84.85
REMARK 500 SER C 76 139.13 -30.20
REMARK 500 MET C 85 -38.20 74.53
REMARK 500 GLN C 96 -128.79 57.99
REMARK 500 TYR C 108 9.86 82.21
REMARK 500 LEU C 147 -163.65 -66.77
REMARK 500 ASN A 147 57.56 152.37
REMARK 500 TYR A 305 109.73 59.65
REMARK 500 SER A 321 -111.03 -90.70
REMARK 500 TYR A 339 8.63 83.34
REMARK 500 ASP A 799 156.35 86.29
REMARK 500 ARG A 841 -28.52 -31.98
REMARK 500 LYS A 844 -33.02 -31.07
REMARK 500 VAL A 896 -52.86 20.67
REMARK 500 CYS A 903 14.82 95.44
REMARK 500 ASP A1213 -165.69 166.11
REMARK 500 ASP A1282 4.37 88.58
REMARK 500 ALA A1294 -18.83 -42.02
REMARK 500 ALA A1361 -9.97 94.72
REMARK 500 LYS A1386 -26.83 98.02
REMARK 500 ASN A1388 -166.80 -162.34
REMARK 500 LEU A1431 -34.84 38.27
REMARK 500 ILE A1497 152.81 100.96
REMARK 500 SER A1540 158.55 102.36
REMARK 500 ARG A1570 -131.38 61.51
REMARK 500 PHE A1603 -163.90 76.57
REMARK 500 VAL A1604 105.77 61.57
REMARK 500 SER A1605 96.84 93.34
REMARK 500 TYR A1668 -4.61 85.79
REMARK 500 GLU A1672 -86.70 -122.95
REMARK 500 MET A1678 152.72 86.22
REMARK 500 LYS A1711 154.49 86.55
REMARK 500 HIS A1721 70.50 52.73
REMARK 500 GLU B 66 170.78 84.48
REMARK 500 ASN B 75 -129.54 64.59
REMARK 500 LYS B 99 -5.62 78.49
REMARK 500 GLN B 102 -56.25 70.70
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: EMD-9781 RELATED DB: EMDB
REMARK 900 STRUCTURE OF HUMAN VOLTAGE-GATED SODIUM CHANNEL NAV1.7 IN COMPLEX
REMARK 900 WITH AUXILIARY BETA SUBUNITS, HUWENTOXIN-IV AND SAXITOXIN (Y1755 UP)
DBREF 6J8G C 1 215 UNP O60939 SCN2B_HUMAN 1 215
DBREF 6J8G A 1 1988 UNP Q15858 SCN9A_HUMAN 1 1988
DBREF 6J8G B 1 218 UNP Q07699 SCN1B_HUMAN 1 218
SEQADV 6J8G MET A -42 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G ALA A -41 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G SER A -40 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G TRP A -39 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G SER A -38 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G HIS A -37 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G PRO A -36 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLN A -35 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G PHE A -34 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLU A -33 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G LYS A -32 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLY A -31 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLY A -30 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLY A -29 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G ALA A -28 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G ARG A -27 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLY A -26 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLY A -25 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G SER A -24 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLY A -23 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLY A -22 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLY A -21 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G SER A -20 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G TRP A -19 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G SER A -18 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G HIS A -17 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G PRO A -16 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLN A -15 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G PHE A -14 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLU A -13 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G LYS A -12 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLY A -11 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G PHE A -10 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G ASP A -9 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G TYR A -8 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G LYS A -7 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G ASP A -6 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G ASP A -5 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G ASP A -4 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G ASP A -3 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G LYS A -2 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G GLY A -1 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G THR A 0 UNP Q15858 EXPRESSION TAG
SEQADV 6J8G LYS A 406 UNP Q15858 GLU 406 VARIANT
SEQRES 1 C 215 MET HIS ARG ASP ALA TRP LEU PRO ARG PRO ALA PHE SER
SEQRES 2 C 215 LEU THR GLY LEU SER LEU PHE PHE SER LEU VAL PRO PRO
SEQRES 3 C 215 GLY ARG SER MET GLU VAL THR VAL PRO ALA THR LEU ASN
SEQRES 4 C 215 VAL LEU ASN GLY SER ASP ALA ARG LEU PRO CYS THR PHE
SEQRES 5 C 215 ASN SER CYS TYR THR VAL ASN HIS LYS GLN PHE SER LEU
SEQRES 6 C 215 ASN TRP THR TYR GLN GLU CYS ASN ASN CYS SER GLU GLU
SEQRES 7 C 215 MET PHE LEU GLN PHE ARG MET LYS ILE ILE ASN LEU LYS
SEQRES 8 C 215 LEU GLU ARG PHE GLN ASP ARG VAL GLU PHE SER GLY ASN
SEQRES 9 C 215 PRO SER LYS TYR ASP VAL SER VAL MET LEU ARG ASN VAL
SEQRES 10 C 215 GLN PRO GLU ASP GLU GLY ILE TYR ASN CYS TYR ILE MET
SEQRES 11 C 215 ASN PRO PRO ASP ARG HIS ARG GLY HIS GLY LYS ILE HIS
SEQRES 12 C 215 LEU GLN VAL LEU MET GLU GLU PRO PRO GLU ARG ASP SER
SEQRES 13 C 215 THR VAL ALA VAL ILE VAL GLY ALA SER VAL GLY GLY PHE
SEQRES 14 C 215 LEU ALA VAL VAL ILE LEU VAL LEU MET VAL VAL LYS CYS
SEQRES 15 C 215 VAL ARG ARG LYS LYS GLU GLN LYS LEU SER THR ASP ASP
SEQRES 16 C 215 LEU LYS THR GLU GLU GLU GLY LYS THR ASP GLY GLU GLY
SEQRES 17 C 215 ASN PRO ASP ASP GLY ALA LYS
SEQRES 1 A 2031 MET ALA SER TRP SER HIS PRO GLN PHE GLU LYS GLY GLY
SEQRES 2 A 2031 GLY ALA ARG GLY GLY SER GLY GLY GLY SER TRP SER HIS
SEQRES 3 A 2031 PRO GLN PHE GLU LYS GLY PHE ASP TYR LYS ASP ASP ASP
SEQRES 4 A 2031 ASP LYS GLY THR MET ALA MET LEU PRO PRO PRO GLY PRO
SEQRES 5 A 2031 GLN SER PHE VAL HIS PHE THR LYS GLN SER LEU ALA LEU
SEQRES 6 A 2031 ILE GLU GLN ARG ILE ALA GLU ARG LYS SER LYS GLU PRO
SEQRES 7 A 2031 LYS GLU GLU LYS LYS ASP ASP ASP GLU GLU ALA PRO LYS
SEQRES 8 A 2031 PRO SER SER ASP LEU GLU ALA GLY LYS GLN LEU PRO PHE
SEQRES 9 A 2031 ILE TYR GLY ASP ILE PRO PRO GLY MET VAL SER GLU PRO
SEQRES 10 A 2031 LEU GLU ASP LEU ASP PRO TYR TYR ALA ASP LYS LYS THR
SEQRES 11 A 2031 PHE ILE VAL LEU ASN LYS GLY LYS THR ILE PHE ARG PHE
SEQRES 12 A 2031 ASN ALA THR PRO ALA LEU TYR MET LEU SER PRO PHE SER
SEQRES 13 A 2031 PRO LEU ARG ARG ILE SER ILE LYS ILE LEU VAL HIS SER
SEQRES 14 A 2031 LEU PHE SER MET LEU ILE MET CYS THR ILE LEU THR ASN
SEQRES 15 A 2031 CYS ILE PHE MET THR MET ASN ASN PRO PRO ASP TRP THR
SEQRES 16 A 2031 LYS ASN VAL GLU TYR THR PHE THR GLY ILE TYR THR PHE
SEQRES 17 A 2031 GLU SER LEU VAL LYS ILE LEU ALA ARG GLY PHE CYS VAL
SEQRES 18 A 2031 GLY GLU PHE THR PHE LEU ARG ASP PRO TRP ASN TRP LEU
SEQRES 19 A 2031 ASP PHE VAL VAL ILE VAL PHE ALA TYR LEU THR GLU PHE
SEQRES 20 A 2031 VAL ASN LEU GLY ASN VAL SER ALA LEU ARG THR PHE ARG
SEQRES 21 A 2031 VAL LEU ARG ALA LEU LYS THR ILE SER VAL ILE PRO GLY
SEQRES 22 A 2031 LEU LYS THR ILE VAL GLY ALA LEU ILE GLN SER VAL LYS
SEQRES 23 A 2031 LYS LEU SER ASP VAL MET ILE LEU THR VAL PHE CYS LEU
SEQRES 24 A 2031 SER VAL PHE ALA LEU ILE GLY LEU GLN LEU PHE MET GLY
SEQRES 25 A 2031 ASN LEU LYS HIS LYS CYS PHE ARG ASN SER LEU GLU ASN
SEQRES 26 A 2031 ASN GLU THR LEU GLU SER ILE MET ASN THR LEU GLU SER
SEQRES 27 A 2031 GLU GLU ASP PHE ARG LYS TYR PHE TYR TYR LEU GLU GLY
SEQRES 28 A 2031 SER LYS ASP ALA LEU LEU CYS GLY PHE SER THR ASP SER
SEQRES 29 A 2031 GLY GLN CYS PRO GLU GLY TYR THR CYS VAL LYS ILE GLY
SEQRES 30 A 2031 ARG ASN PRO ASP TYR GLY TYR THR SER PHE ASP THR PHE
SEQRES 31 A 2031 SER TRP ALA PHE LEU ALA LEU PHE ARG LEU MET THR GLN
SEQRES 32 A 2031 ASP TYR TRP GLU ASN LEU TYR GLN GLN THR LEU ARG ALA
SEQRES 33 A 2031 ALA GLY LYS THR TYR MET ILE PHE PHE VAL VAL VAL ILE
SEQRES 34 A 2031 PHE LEU GLY SER PHE TYR LEU ILE ASN LEU ILE LEU ALA
SEQRES 35 A 2031 VAL VAL ALA MET ALA TYR LYS GLU GLN ASN GLN ALA ASN
SEQRES 36 A 2031 ILE GLU GLU ALA LYS GLN LYS GLU LEU GLU PHE GLN GLN
SEQRES 37 A 2031 MET LEU ASP ARG LEU LYS LYS GLU GLN GLU GLU ALA GLU
SEQRES 38 A 2031 ALA ILE ALA ALA ALA ALA ALA GLU TYR THR SER ILE ARG
SEQRES 39 A 2031 ARG SER ARG ILE MET GLY LEU SER GLU SER SER SER GLU
SEQRES 40 A 2031 THR SER LYS LEU SER SER LYS SER ALA LYS GLU ARG ARG
SEQRES 41 A 2031 ASN ARG ARG LYS LYS LYS ASN GLN LYS LYS LEU SER SER
SEQRES 42 A 2031 GLY GLU GLU LYS GLY ASP ALA GLU LYS LEU SER LYS SER
SEQRES 43 A 2031 GLU SER GLU ASP SER ILE ARG ARG LYS SER PHE HIS LEU
SEQRES 44 A 2031 GLY VAL GLU GLY HIS ARG ARG ALA HIS GLU LYS ARG LEU
SEQRES 45 A 2031 SER THR PRO ASN GLN SER PRO LEU SER ILE ARG GLY SER
SEQRES 46 A 2031 LEU PHE SER ALA ARG ARG SER SER ARG THR SER LEU PHE
SEQRES 47 A 2031 SER PHE LYS GLY ARG GLY ARG ASP ILE GLY SER GLU THR
SEQRES 48 A 2031 GLU PHE ALA ASP ASP GLU HIS SER ILE PHE GLY ASP ASN
SEQRES 49 A 2031 GLU SER ARG ARG GLY SER LEU PHE VAL PRO HIS ARG PRO
SEQRES 50 A 2031 GLN GLU ARG ARG SER SER ASN ILE SER GLN ALA SER ARG
SEQRES 51 A 2031 SER PRO PRO MET LEU PRO VAL ASN GLY LYS MET HIS SER
SEQRES 52 A 2031 ALA VAL ASP CYS ASN GLY VAL VAL SER LEU VAL ASP GLY
SEQRES 53 A 2031 ARG SER ALA LEU MET LEU PRO ASN GLY GLN LEU LEU PRO
SEQRES 54 A 2031 GLU VAL ILE ILE ASP LYS ALA THR SER ASP ASP SER GLY
SEQRES 55 A 2031 THR THR ASN GLN ILE HIS LYS LYS ARG ARG CYS SER SER
SEQRES 56 A 2031 TYR LEU LEU SER GLU ASP MET LEU ASN ASP PRO ASN LEU
SEQRES 57 A 2031 ARG GLN ARG ALA MET SER ARG ALA SER ILE LEU THR ASN
SEQRES 58 A 2031 THR VAL GLU GLU LEU GLU GLU SER ARG GLN LYS CYS PRO
SEQRES 59 A 2031 PRO TRP TRP TYR ARG PHE ALA HIS LYS PHE LEU ILE TRP
SEQRES 60 A 2031 ASN CYS SER PRO TYR TRP ILE LYS PHE LYS LYS CYS ILE
SEQRES 61 A 2031 TYR PHE ILE VAL MET ASP PRO PHE VAL ASP LEU ALA ILE
SEQRES 62 A 2031 THR ILE CYS ILE VAL LEU ASN THR LEU PHE MET ALA MET
SEQRES 63 A 2031 GLU HIS HIS PRO MET THR GLU GLU PHE LYS ASN VAL LEU
SEQRES 64 A 2031 ALA ILE GLY ASN LEU VAL PHE THR GLY ILE PHE ALA ALA
SEQRES 65 A 2031 GLU MET VAL LEU LYS LEU ILE ALA MET ASP PRO TYR GLU
SEQRES 66 A 2031 TYR PHE GLN VAL GLY TRP ASN ILE PHE ASP SER LEU ILE
SEQRES 67 A 2031 VAL THR LEU SER LEU VAL GLU LEU PHE LEU ALA ASP VAL
SEQRES 68 A 2031 GLU GLY LEU SER VAL LEU ARG SER PHE ARG LEU LEU ARG
SEQRES 69 A 2031 VAL PHE LYS LEU ALA LYS SER TRP PRO THR LEU ASN MET
SEQRES 70 A 2031 LEU ILE LYS ILE ILE GLY ASN SER VAL GLY ALA LEU GLY
SEQRES 71 A 2031 ASN LEU THR LEU VAL LEU ALA ILE ILE VAL PHE ILE PHE
SEQRES 72 A 2031 ALA VAL VAL GLY MET GLN LEU PHE GLY LYS SER TYR LYS
SEQRES 73 A 2031 GLU CYS VAL CYS LYS ILE ASN ASP ASP CYS THR LEU PRO
SEQRES 74 A 2031 ARG TRP HIS MET ASN ASP PHE PHE HIS SER PHE LEU ILE
SEQRES 75 A 2031 VAL PHE ARG VAL LEU CYS GLY GLU TRP ILE GLU THR MET
SEQRES 76 A 2031 TRP ASP CYS MET GLU VAL ALA GLY GLN ALA MET CYS LEU
SEQRES 77 A 2031 ILE VAL TYR MET MET VAL MET VAL ILE GLY ASN LEU VAL
SEQRES 78 A 2031 VAL LEU ASN LEU PHE LEU ALA LEU LEU LEU SER SER PHE
SEQRES 79 A 2031 SER SER ASP ASN LEU THR ALA ILE GLU GLU ASP PRO ASP
SEQRES 80 A 2031 ALA ASN ASN LEU GLN ILE ALA VAL THR ARG ILE LYS LYS
SEQRES 81 A 2031 GLY ILE ASN TYR VAL LYS GLN THR LEU ARG GLU PHE ILE
SEQRES 82 A 2031 LEU LYS ALA PHE SER LYS LYS PRO LYS ILE SER ARG GLU
SEQRES 83 A 2031 ILE ARG GLN ALA GLU ASP LEU ASN THR LYS LYS GLU ASN
SEQRES 84 A 2031 TYR ILE SER ASN HIS THR LEU ALA GLU MET SER LYS GLY
SEQRES 85 A 2031 HIS ASN PHE LEU LYS GLU LYS ASP LYS ILE SER GLY PHE
SEQRES 86 A 2031 GLY SER SER VAL ASP LYS HIS LEU MET GLU ASP SER ASP
SEQRES 87 A 2031 GLY GLN SER PHE ILE HIS ASN PRO SER LEU THR VAL THR
SEQRES 88 A 2031 VAL PRO ILE ALA PRO GLY GLU SER ASP LEU GLU ASN MET
SEQRES 89 A 2031 ASN ALA GLU GLU LEU SER SER ASP SER ASP SER GLU TYR
SEQRES 90 A 2031 SER LYS VAL ARG LEU ASN ARG SER SER SER SER GLU CYS
SEQRES 91 A 2031 SER THR VAL ASP ASN PRO LEU PRO GLY GLU GLY GLU GLU
SEQRES 92 A 2031 ALA GLU ALA GLU PRO MET ASN SER ASP GLU PRO GLU ALA
SEQRES 93 A 2031 CYS PHE THR ASP GLY CYS VAL TRP ARG PHE SER CYS CYS
SEQRES 94 A 2031 GLN VAL ASN ILE GLU SER GLY LYS GLY LYS ILE TRP TRP
SEQRES 95 A 2031 ASN ILE ARG LYS THR CYS TYR LYS ILE VAL GLU HIS SER
SEQRES 96 A 2031 TRP PHE GLU SER PHE ILE VAL LEU MET ILE LEU LEU SER
SEQRES 97 A 2031 SER GLY ALA LEU ALA PHE GLU ASP ILE TYR ILE GLU ARG
SEQRES 98 A 2031 LYS LYS THR ILE LYS ILE ILE LEU GLU TYR ALA ASP LYS
SEQRES 99 A 2031 ILE PHE THR TYR ILE PHE ILE LEU GLU MET LEU LEU LYS
SEQRES 100 A 2031 TRP ILE ALA TYR GLY TYR LYS THR TYR PHE THR ASN ALA
SEQRES 101 A 2031 TRP CYS TRP LEU ASP PHE LEU ILE VAL ASP VAL SER LEU
SEQRES 102 A 2031 VAL THR LEU VAL ALA ASN THR LEU GLY TYR SER ASP LEU
SEQRES 103 A 2031 GLY PRO ILE LYS SER LEU ARG THR LEU ARG ALA LEU ARG
SEQRES 104 A 2031 PRO LEU ARG ALA LEU SER ARG PHE GLU GLY MET ARG VAL
SEQRES 105 A 2031 VAL VAL ASN ALA LEU ILE GLY ALA ILE PRO SER ILE MET
SEQRES 106 A 2031 ASN VAL LEU LEU VAL CYS LEU ILE PHE TRP LEU ILE PHE
SEQRES 107 A 2031 SER ILE MET GLY VAL ASN LEU PHE ALA GLY LYS PHE TYR
SEQRES 108 A 2031 GLU CYS ILE ASN THR THR ASP GLY SER ARG PHE PRO ALA
SEQRES 109 A 2031 SER GLN VAL PRO ASN ARG SER GLU CYS PHE ALA LEU MET
SEQRES 110 A 2031 ASN VAL SER GLN ASN VAL ARG TRP LYS ASN LEU LYS VAL
SEQRES 111 A 2031 ASN PHE ASP ASN VAL GLY LEU GLY TYR LEU SER LEU LEU
SEQRES 112 A 2031 GLN VAL ALA THR PHE LYS GLY TRP THR ILE ILE MET TYR
SEQRES 113 A 2031 ALA ALA VAL ASP SER VAL ASN VAL ASP LYS GLN PRO LYS
SEQRES 114 A 2031 TYR GLU TYR SER LEU TYR MET TYR ILE TYR PHE VAL VAL
SEQRES 115 A 2031 PHE ILE ILE PHE GLY SER PHE PHE THR LEU ASN LEU PHE
SEQRES 116 A 2031 ILE GLY VAL ILE ILE ASP ASN PHE ASN GLN GLN LYS LYS
SEQRES 117 A 2031 LYS LEU GLY GLY GLN ASP ILE PHE MET THR GLU GLU GLN
SEQRES 118 A 2031 LYS LYS TYR TYR ASN ALA MET LYS LYS LEU GLY SER LYS
SEQRES 119 A 2031 LYS PRO GLN LYS PRO ILE PRO ARG PRO GLY ASN LYS ILE
SEQRES 120 A 2031 GLN GLY CYS ILE PHE ASP LEU VAL THR ASN GLN ALA PHE
SEQRES 121 A 2031 ASP ILE SER ILE MET VAL LEU ILE CYS LEU ASN MET VAL
SEQRES 122 A 2031 THR MET MET VAL GLU LYS GLU GLY GLN SER GLN HIS MET
SEQRES 123 A 2031 THR GLU VAL LEU TYR TRP ILE ASN VAL VAL PHE ILE ILE
SEQRES 124 A 2031 LEU PHE THR GLY GLU CYS VAL LEU LYS LEU ILE SER LEU
SEQRES 125 A 2031 ARG HIS TYR TYR PHE THR VAL GLY TRP ASN ILE PHE ASP
SEQRES 126 A 2031 PHE VAL VAL VAL ILE ILE SER ILE VAL GLY MET PHE LEU
SEQRES 127 A 2031 ALA ASP LEU ILE GLU THR TYR PHE VAL SER PRO THR LEU
SEQRES 128 A 2031 PHE ARG VAL ILE ARG LEU ALA ARG ILE GLY ARG ILE LEU
SEQRES 129 A 2031 ARG LEU VAL LYS GLY ALA LYS GLY ILE ARG THR LEU LEU
SEQRES 130 A 2031 PHE ALA LEU MET MET SER LEU PRO ALA LEU PHE ASN ILE
SEQRES 131 A 2031 GLY LEU LEU LEU PHE LEU VAL MET PHE ILE TYR ALA ILE
SEQRES 132 A 2031 PHE GLY MET SER ASN PHE ALA TYR VAL LYS LYS GLU ASP
SEQRES 133 A 2031 GLY ILE ASN ASP MET PHE ASN PHE GLU THR PHE GLY ASN
SEQRES 134 A 2031 SER MET ILE CYS LEU PHE GLN ILE THR THR SER ALA GLY
SEQRES 135 A 2031 TRP ASP GLY LEU LEU ALA PRO ILE LEU ASN SER LYS PRO
SEQRES 136 A 2031 PRO ASP CYS ASP PRO LYS LYS VAL HIS PRO GLY SER SER
SEQRES 137 A 2031 VAL GLU GLY ASP CYS GLY ASN PRO SER VAL GLY ILE PHE
SEQRES 138 A 2031 TYR PHE VAL SER TYR ILE ILE ILE SER PHE LEU VAL VAL
SEQRES 139 A 2031 VAL ASN MET TYR ILE ALA VAL ILE LEU GLU ASN PHE SER
SEQRES 140 A 2031 VAL ALA THR GLU GLU SER THR GLU PRO LEU SER GLU ASP
SEQRES 141 A 2031 ASP PHE GLU MET PHE TYR GLU VAL TRP GLU LYS PHE ASP
SEQRES 142 A 2031 PRO ASP ALA THR GLN PHE ILE GLU PHE SER LYS LEU SER
SEQRES 143 A 2031 ASP PHE ALA ALA ALA LEU ASP PRO PRO LEU LEU ILE ALA
SEQRES 144 A 2031 LYS PRO ASN LYS VAL GLN LEU ILE ALA MET ASP LEU PRO
SEQRES 145 A 2031 MET VAL SER GLY ASP ARG ILE HIS CYS LEU ASP ILE LEU
SEQRES 146 A 2031 PHE ALA PHE THR LYS ARG VAL LEU GLY GLU SER GLY GLU
SEQRES 147 A 2031 MET ASP SER LEU ARG SER GLN MET GLU GLU ARG PHE MET
SEQRES 148 A 2031 SER ALA ASN PRO SER LYS VAL SER TYR GLU PRO ILE THR
SEQRES 149 A 2031 THR THR LEU LYS ARG LYS GLN GLU ASP VAL SER ALA THR
SEQRES 150 A 2031 VAL ILE GLN ARG ALA TYR ARG ARG TYR ARG LEU ARG GLN
SEQRES 151 A 2031 ASN VAL LYS ASN ILE SER SER ILE TYR ILE LYS ASP GLY
SEQRES 152 A 2031 ASP ARG ASP ASP ASP LEU LEU ASN LYS LYS ASP MET ALA
SEQRES 153 A 2031 PHE ASP ASN VAL ASN GLU ASN SER SER PRO GLU LYS THR
SEQRES 154 A 2031 ASP ALA THR SER SER THR THR SER PRO PRO SER TYR ASP
SEQRES 155 A 2031 SER VAL THR LYS PRO ASP LYS GLU LYS TYR GLU GLN ASP
SEQRES 156 A 2031 ARG THR GLU LYS GLU ASP LYS GLY LYS ASP SER LYS GLU
SEQRES 157 A 2031 SER LYS LYS
SEQRES 1 B 218 MET GLY ARG LEU LEU ALA LEU VAL VAL GLY ALA ALA LEU
SEQRES 2 B 218 VAL SER SER ALA CYS GLY GLY CYS VAL GLU VAL ASP SER
SEQRES 3 B 218 GLU THR GLU ALA VAL TYR GLY MET THR PHE LYS ILE LEU
SEQRES 4 B 218 CYS ILE SER CYS LYS ARG ARG SER GLU THR ASN ALA GLU
SEQRES 5 B 218 THR PHE THR GLU TRP THR PHE ARG GLN LYS GLY THR GLU
SEQRES 6 B 218 GLU PHE VAL LYS ILE LEU ARG TYR GLU ASN GLU VAL LEU
SEQRES 7 B 218 GLN LEU GLU GLU ASP GLU ARG PHE GLU GLY ARG VAL VAL
SEQRES 8 B 218 TRP ASN GLY SER ARG GLY THR LYS ASP LEU GLN ASP LEU
SEQRES 9 B 218 SER ILE PHE ILE THR ASN VAL THR TYR ASN HIS SER GLY
SEQRES 10 B 218 ASP TYR GLU CYS HIS VAL TYR ARG LEU LEU PHE PHE GLU
SEQRES 11 B 218 ASN TYR GLU HIS ASN THR SER VAL VAL LYS LYS ILE HIS
SEQRES 12 B 218 ILE GLU VAL VAL ASP LYS ALA ASN ARG ASP MET ALA SER
SEQRES 13 B 218 ILE VAL SER GLU ILE MET MET TYR VAL LEU ILE VAL VAL
SEQRES 14 B 218 LEU THR ILE TRP LEU VAL ALA GLU MET ILE TYR CYS TYR
SEQRES 15 B 218 LYS LYS ILE ALA ALA ALA THR GLU THR ALA ALA GLN GLU
SEQRES 16 B 218 ASN ALA SER GLU TYR LEU ALA ILE THR SER GLU SER LYS
SEQRES 17 B 218 GLU ASN CYS THR GLY VAL GLN VAL ALA GLU
HET NAG D 1 14
HET NAG D 2 14
HET NAG E 1 14
HET NAG E 2 14
HET NAG C 301 14
HET NAG A2005 14
HET NAG A2006 14
HET 9SL A2007 21
HET NAG B 301 14
HET NAG B 302 14
HET NAG B 303 14
HET NAG B 304 14
HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
HETNAM 9SL [(3AS,4R,10AS)-2,6-DIAMINO-10,10-DIHYDROXY-3A,4,9,10-
HETNAM 2 9SL TETRAHYDRO-3H,8H-PYRROLO[1,2-C]PURIN-4-YL]METHYL
HETNAM 3 9SL CARBAMATE
HETSYN 9SL SAXITOXIN
FORMUL 4 NAG 11(C8 H15 N O6)
FORMUL 9 9SL C10 H17 N7 O4
HELIX 1 AA1 LEU C 92 GLN C 96 5 5
HELIX 2 AA2 ASN C 104 TYR C 108 5 5
HELIX 3 AA3 GLN C 118 GLU C 122 5 5
HELIX 4 AA4 LEU A 115 VAL A 124 1 10
HELIX 5 AA5 HIS A 125 THR A 144 1 20
HELIX 6 AA6 TRP A 151 PHE A 176 1 26
HELIX 7 AA7 GLU A 180 ASP A 186 1 7
HELIX 8 AA8 ASP A 186 PHE A 204 1 19
HELIX 9 AA9 ASN A 209 THR A 215 1 7
HELIX 10 AB1 VAL A 218 ILE A 228 1 11
HELIX 11 AB2 GLY A 230 LEU A 245 1 16
HELIX 12 AB3 LEU A 245 MET A 268 1 24
HELIX 13 AB4 GLY A 269 LEU A 271 5 3
HELIX 14 AB5 LEU A 280 GLU A 284 5 5
HELIX 15 AB6 THR A 285 LEU A 293 1 9
HELIX 16 AB7 SER A 295 PHE A 303 1 9
HELIX 17 AB8 THR A 346 THR A 359 1 14
HELIX 18 AB9 TYR A 362 GLY A 375 1 14
HELIX 19 AC1 TYR A 378 SER A 390 1 13
HELIX 20 AC2 SER A 390 LYS A 417 1 28
HELIX 21 AC3 SER A 727 ILE A 740 1 14
HELIX 22 AC4 PHE A 745 ALA A 762 1 18
HELIX 23 AC5 THR A 769 ASP A 799 1 31
HELIX 24 AC6 ASP A 799 VAL A 806 1 8
HELIX 25 AC7 VAL A 806 LEU A 823 1 18
HELIX 26 AC8 SER A 832 PHE A 837 1 6
HELIX 27 AC9 ARG A 838 LYS A 847 5 10
HELIX 28 AD1 TRP A 849 GLY A 864 1 16
HELIX 29 AD2 LEU A 866 VAL A 896 1 31
HELIX 30 AD3 ASP A 912 CYS A 925 1 14
HELIX 31 AD4 GLU A 927 GLY A 940 1 14
HELIX 32 AD5 GLY A 940 SER A 972 1 33
HELIX 33 AD6 LYS A 1176 HIS A 1191 1 16
HELIX 34 AD7 HIS A 1191 GLU A 1212 1 22
HELIX 35 AD8 ASP A 1213 ARG A 1218 5 6
HELIX 36 AD9 LYS A 1219 THR A 1255 1 37
HELIX 37 AE1 ASN A 1256 GLY A 1279 1 24
HELIX 38 AE2 ILE A 1286 THR A 1291 1 6
HELIX 39 AE3 LEU A 1292 LEU A 1298 5 7
HELIX 40 AE4 ARG A 1299 PHE A 1304 1 6
HELIX 41 AE5 PHE A 1304 ALA A 1344 1 41
HELIX 42 AE6 ASN A 1366 SER A 1377 1 12
HELIX 43 AE7 ASN A 1391 PHE A 1405 1 15
HELIX 44 AE8 GLY A 1407 SER A 1418 1 12
HELIX 45 AE9 MET A 1433 SER A 1445 1 13
HELIX 46 AF1 SER A 1445 LEU A 1467 1 23
HELIX 47 AF2 THR A 1475 LEU A 1488 1 14
HELIX 48 AF3 ASN A 1502 ASN A 1514 1 13
HELIX 49 AF4 ASN A 1514 VAL A 1534 1 21
HELIX 50 AF5 SER A 1540 ARG A 1570 1 31
HELIX 51 AF6 ARG A 1570 VAL A 1576 1 7
HELIX 52 AF7 VAL A 1576 PHE A 1603 1 28
HELIX 53 AF8 SER A 1605 LEU A 1614 1 10
HELIX 54 AF9 ARG A 1616 LEU A 1621 1 6
HELIX 55 AG1 ARG A 1622 ALA A 1627 1 6
HELIX 56 AG2 ALA A 1627 SER A 1640 1 14
HELIX 57 AG3 SER A 1640 ALA A 1667 1 28
HELIX 58 AG4 THR A 1683 THR A 1696 1 14
HELIX 59 AG5 GLY A 1699 ASN A 1709 1 11
HELIX 60 AG6 ASN A 1732 GLU A 1768 1 37
HELIX 61 AG7 ASP B 83 GLU B 87 5 5
HELIX 62 AG8 ASP B 153 ALA B 192 1 40
SHEET 1 AA1 2 GLU C 31 THR C 33 0
SHEET 2 AA1 2 THR C 51 ASN C 53 -1 O THR C 51 N THR C 33
SHEET 1 AA2 6 THR C 37 VAL C 40 0
SHEET 2 AA2 6 ARG C 137 VAL C 146 1 O GLN C 145 N LEU C 38
SHEET 3 AA2 6 GLY C 123 MET C 130 -1 N TYR C 125 O ILE C 142
SHEET 4 AA2 6 SER C 64 GLN C 70 -1 N ASN C 66 O TYR C 128
SHEET 5 AA2 6 GLU C 78 ARG C 84 -1 O LEU C 81 N TRP C 67
SHEET 6 AA2 6 ILE C 87 ASN C 89 -1 O ILE C 88 N GLN C 82
SHEET 1 AA3 3 ALA C 46 LEU C 48 0
SHEET 2 AA3 3 VAL C 112 LEU C 114 -1 O VAL C 112 N LEU C 48
SHEET 3 AA3 3 VAL C 99 PHE C 101 -1 N GLU C 100 O MET C 113
SHEET 1 AA4 2 HIS A 273 ARG A 277 0
SHEET 2 AA4 2 TYR A 328 LYS A 332 -1 O THR A 329 N PHE A 276
SHEET 1 AA5 3 SER A1357 ARG A1358 0
SHEET 2 AA5 3 GLU A1349 ASN A1352 -1 N ASN A1352 O SER A1357
SHEET 3 AA5 3 VAL A1380 LYS A1383 -1 O ARG A1381 N ILE A1351
SHEET 1 AA6 6 GLU B 29 VAL B 31 0
SHEET 2 AA6 6 GLU B 133 VAL B 147 1 O VAL B 147 N ALA B 30
SHEET 3 AA6 6 GLY B 117 PHE B 128 -1 N CYS B 121 O LYS B 140
SHEET 4 AA6 6 ASN B 50 GLN B 61 -1 N GLU B 52 O LEU B 126
SHEET 5 AA6 6 VAL B 68 TYR B 73 -1 O ILE B 70 N TRP B 57
SHEET 6 AA6 6 LEU B 78 LEU B 80 -1 O GLN B 79 N ARG B 72
SHEET 1 AA7 3 PHE B 36 ILE B 41 0
SHEET 2 AA7 3 ASP B 103 ILE B 108 -1 O ILE B 106 N ILE B 38
SHEET 3 AA7 3 VAL B 90 TRP B 92 -1 N VAL B 91 O PHE B 107
SSBOND 1 CYS C 50 CYS C 127 1555 1555 2.57
SSBOND 2 CYS C 55 CYS A 895 1555 1555 2.45
SSBOND 3 CYS C 72 CYS C 75 1555 1555 2.04
SSBOND 4 CYS A 275 CYS A 324 1555 1555 1.90
SSBOND 5 CYS A 897 CYS A 903 1555 1555 2.69
SSBOND 6 CYS A 935 CYS A 944 1555 1555 2.00
SSBOND 7 CYS A 1350 CYS A 1370 1555 1555 1.95
SSBOND 8 CYS A 1715 CYS A 1730 1555 1555 2.12
SSBOND 9 CYS B 21 CYS B 43 1555 1555 1.88
SSBOND 10 CYS B 40 CYS B 121 1555 1555 2.00
LINK ND2 ASN C 66 C1 NAG C 301 1555 1555 1.47
LINK ND2 ASN A 283 C1 NAG A2006 1555 1555 1.50
LINK ND2 ASN A1352 C1 NAG D 1 1555 1555 1.52
LINK ND2 ASN A1366 C1 NAG E 1 1555 1555 1.47
LINK ND2 ASN A1375 C1 NAG A2005 1555 1555 1.49
LINK ND2 ASN B 93 C1 NAG B 301 1555 1555 1.49
LINK ND2 ASN B 110 C1 NAG B 302 1555 1555 1.53
LINK ND2 ASN B 114 C1 NAG B 303 1555 1555 1.44
LINK ND2 ASN B 135 C1 NAG B 304 1555 1555 1.50
LINK O4 NAG D 1 C1 NAG D 2 1555 1555 1.44
LINK O4 NAG E 1 C1 NAG E 2 1555 1555 1.44
CISPEP 1 PRO C 132 PRO C 133 0 3.96
CISPEP 2 GLY A 322 GLN A 323 0 -2.22
CISPEP 3 PRO A 1285 ILE A 1286 0 6.46
CISPEP 4 PRO A 1712 PRO A 1713 0 2.81
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
(ATOM LINES ARE NOT SHOWN.)
END