HEADER HYDROLASE 01-SEP-14 4UYI
TITLE CRYSTAL STRUCTURE OF THE BTB DOMAIN OF HUMAN SLX4 (BTBD12)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: BTB DOMAIN (BTBD12), UNP RESIDUES 668-796;
COMPND 5 SYNONYM: BTB/POZ DOMAIN-CONTAINING PROTEIN 12, SLX4;
COMPND 6 ENGINEERED: YES;
COMPND 7 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21
KEYWDS HYDROLASE
EXPDTA X-RAY DIFFRACTION
AUTHOR D.M.PINKAS,C.E.SANVITALE,C.STRAIN-DAMERELL,M.FAIRHEAD,D.WANG,
AUTHOR 2 C.TALLANT,C.D.O.COOPER,F.J.SORRELL,J.KOPEC,A.CHAIKUAD,F.FITZPATRICK,
AUTHOR 3 A.C.W.PIKE,V.HOZJAN,Z.YING,A.K.ROOS,P.SAVITSKY,A.BRADLEY,R.NOWAK,
AUTHOR 4 P.FILIPPAKOPOULOS,T.KROJER,N.A.BURGESS-BROWN,B.D.MARSDEN,F.VON
AUTHOR 5 DELFT,C.H.ARROWSMITH,A.M.EDWARDS,C.BOUNTRA,A.BULLOCK
REVDAT 3 24-JAN-18 4UYI 1 AUTHOR JRNL
REVDAT 2 15-OCT-14 4UYI 1 ATOM
REVDAT 1 01-OCT-14 4UYI 0
JRNL AUTH D.M.PINKAS,C.E.SANVITALE,C.STRAIN-DAMERELL,M.FAIRHEAD,
JRNL AUTH 2 D.WANG,C.TALLANT,C.D.O.COOPER,F.J.SORRELL,J.KOPEC,
JRNL AUTH 3 A.CHAIKUAD,F.FITZPATRICK,A.C.W.PIKE,V.HOZJAN,Z.YING,
JRNL AUTH 4 A.K.ROOS,P.SAVITSKY,A.BRADLEY,R.NOWAK,P.FILIPPAKOPOULOS,
JRNL AUTH 5 T.KROJER,N.A.BURGESS-BROWN,B.D.MARSDEN,F.VON DELFT,
JRNL AUTH 6 C.H.ARROWSMITH,A.M.EDWARDS,C.BOUNTRA,A.BULLOCK
JRNL TITL CRYSTAL STRUCTURE OF THE BTB DOMAIN OF HUMAN SLX4 (BTBD12)
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. 1.86 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE)
REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN
REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,
REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,
REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,
REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON,
REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,
REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT
REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART
REMARK 3
REMARK 3 REFINEMENT TARGET : ML
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.86
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 71.25
REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340
REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0
REMARK 3 NUMBER OF REFLECTIONS : 16697
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.180
REMARK 3 R VALUE (WORKING SET) : 0.180
REMARK 3 FREE R VALUE : 0.194
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000
REMARK 3 FREE R VALUE TEST SET COUNT : 835
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS).
REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE
REMARK 3 1 71.2973 - 3.3797 1.00 2717 136 0.1641 0.1610
REMARK 3 2 3.3797 - 2.6826 1.00 2619 160 0.1902 0.1980
REMARK 3 3 2.6826 - 2.3434 1.00 2641 135 0.1821 0.2294
REMARK 3 4 2.3434 - 2.1292 1.00 2640 128 0.1827 0.2207
REMARK 3 5 2.1292 - 1.9765 1.00 2612 144 0.2009 0.2380
REMARK 3 6 1.9765 - 1.8600 1.00 2633 132 0.2340 0.2890
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL
REMARK 3 SOLVENT RADIUS : 1.11
REMARK 3 SHRINKAGE RADIUS : 0.90
REMARK 3 K_SOL : NULL
REMARK 3 B_SOL : NULL
REMARK 3
REMARK 3 ERROR ESTIMATES.
REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.170
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.570
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 30.75
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 41.15
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 TWINNING INFORMATION.
REMARK 3 FRACTION: NULL
REMARK 3 OPERATOR: NULL
REMARK 3
REMARK 3 DEVIATIONS FROM IDEAL VALUES.
REMARK 3 RMSD COUNT
REMARK 3 BOND : 0.011 999
REMARK 3 ANGLE : 1.171 1359
REMARK 3 CHIRALITY : 0.044 158
REMARK 3 PLANARITY : 0.006 175
REMARK 3 DIHEDRAL : 14.418 348
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : NULL
REMARK 3
REMARK 3 NCS DETAILS
REMARK 3 NUMBER OF NCS GROUPS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 4UYI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 01-SEP-14.
REMARK 100 THE DEPOSITION ID IS D_1290061650.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 13-AUG-14
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 6.5
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : DIAMOND
REMARK 200 BEAMLINE : I03
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.97625
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : PIXEL
REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS
REMARK 200 DATA SCALING SOFTWARE : XDS
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16697
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.860
REMARK 200 RESOLUTION RANGE LOW (A) : 71.250
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0
REMARK 200 DATA REDUNDANCY : 12.60
REMARK 200 R MERGE (I) : 0.06000
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 24.1000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.86
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.91
REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0
REMARK 200 DATA REDUNDANCY IN SHELL : 12.80
REMARK 200 R MERGE FOR SHELL (I) : 0.71000
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.800
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER
REMARK 200 SOFTWARE USED: MR-ROSETTA
REMARK 200 STARTING MODEL: NONE
REMARK 200
REMARK 200 REMARK: NONE
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 65.00
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.50
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M MAGNESIUM CHLORIDE, 25% PEG3350,
REMARK 280 0.1M BIS-TRIS PH 6.5
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 2
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -Y,X-Y,Z
REMARK 290 3555 -X+Y,-X,Z
REMARK 290 4555 Y,X,-Z
REMARK 290 5555 X-Y,-Y,-Z
REMARK 290 6555 -X,-X+Y,-Z
REMARK 290 7555 X+2/3,Y+1/3,Z+1/3
REMARK 290 8555 -Y+2/3,X-Y+1/3,Z+1/3
REMARK 290 9555 -X+Y+2/3,-X+1/3,Z+1/3
REMARK 290 10555 Y+2/3,X+1/3,-Z+1/3
REMARK 290 11555 X-Y+2/3,-Y+1/3,-Z+1/3
REMARK 290 12555 -X+2/3,-X+Y+1/3,-Z+1/3
REMARK 290 13555 X+1/3,Y+2/3,Z+2/3
REMARK 290 14555 -Y+1/3,X-Y+2/3,Z+2/3
REMARK 290 15555 -X+Y+1/3,-X+2/3,Z+2/3
REMARK 290 16555 Y+1/3,X+2/3,-Z+2/3
REMARK 290 17555 X-Y+1/3,-Y+2/3,-Z+2/3
REMARK 290 18555 -X+1/3,-X+Y+2/3,-Z+2/3
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000
REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 71.24500
REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 41.13332
REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 16.97667
REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 71.24500
REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 41.13332
REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 16.97667
REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 71.24500
REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 41.13332
REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 16.97667
REMARK 290 SMTRY1 10 -0.500000 0.866025 0.000000 71.24500
REMARK 290 SMTRY2 10 0.866025 0.500000 0.000000 41.13332
REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 16.97667
REMARK 290 SMTRY1 11 1.000000 0.000000 0.000000 71.24500
REMARK 290 SMTRY2 11 0.000000 -1.000000 0.000000 41.13332
REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 16.97667
REMARK 290 SMTRY1 12 -0.500000 -0.866025 0.000000 71.24500
REMARK 290 SMTRY2 12 -0.866025 0.500000 0.000000 41.13332
REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 16.97667
REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 82.26664
REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 33.95333
REMARK 290 SMTRY1 14 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 14 0.866025 -0.500000 0.000000 82.26664
REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 33.95333
REMARK 290 SMTRY1 15 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 15 -0.866025 -0.500000 0.000000 82.26664
REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 33.95333
REMARK 290 SMTRY1 16 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 16 0.866025 0.500000 0.000000 82.26664
REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 33.95333
REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 17 0.000000 -1.000000 0.000000 82.26664
REMARK 290 SMTRY3 17 0.000000 0.000000 -1.000000 33.95333
REMARK 290 SMTRY1 18 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 18 -0.866025 0.500000 0.000000 82.26664
REMARK 290 SMTRY3 18 0.000000 0.000000 -1.000000 33.95333
REMARK 290
REMARK 290 REMARK: NULL
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: HEXAMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 13260 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 32280 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -123.3 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
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 350 BIOMT1 2 -0.500000 -0.866025 0.000000 71.24500
REMARK 350 BIOMT2 2 -0.866025 0.500000 0.000000 41.13332
REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 16.97667
REMARK 350 BIOMT1 3 -0.500000 -0.866025 0.000000 71.24500
REMARK 350 BIOMT2 3 0.866025 -0.500000 0.000000 123.39996
REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 4 -0.500000 0.866025 0.000000 -71.24500
REMARK 350 BIOMT2 4 -0.866025 -0.500000 0.000000 123.39996
REMARK 350 BIOMT3 4 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 5 -0.500000 0.866025 0.000000 -71.24500
REMARK 350 BIOMT2 5 0.866025 0.500000 0.000000 41.13332
REMARK 350 BIOMT3 5 0.000000 0.000000 -1.000000 16.97667
REMARK 350 BIOMT1 6 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 6 0.000000 -1.000000 0.000000 164.53328
REMARK 350 BIOMT3 6 0.000000 0.000000 -1.000000 16.97667
REMARK 375
REMARK 375 SPECIAL POSITION
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL
REMARK 375 POSITIONS.
REMARK 375
REMARK 375 ATOM RES CSSEQI
REMARK 375 HOH A2015 LIES ON A SPECIAL POSITION.
REMARK 375 HOH A2016 LIES ON A SPECIAL POSITION.
REMARK 375 HOH A2045 LIES ON A SPECIAL POSITION.
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 A 645
REMARK 465 HIS A 646
REMARK 465 HIS A 647
REMARK 465 HIS A 648
REMARK 465 HIS A 649
REMARK 465 HIS A 650
REMARK 465 HIS A 651
REMARK 465 SER A 652
REMARK 465 SER A 653
REMARK 465 GLY A 654
REMARK 465 VAL A 655
REMARK 465 ASP A 656
REMARK 465 LEU A 657
REMARK 465 GLY A 658
REMARK 465 THR A 659
REMARK 465 GLU A 660
REMARK 465 ASN A 661
REMARK 465 VAL A 789
REMARK 465 PRO A 790
REMARK 465 ILE A 791
REMARK 465 ALA A 792
REMARK 465 THR A 793
REMARK 465 ASP A 794
REMARK 465 SER A 795
REMARK 465 GLU A 796
REMARK 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 470 I=INSERTION CODE):
REMARK 470 M RES CSSEQI ATOMS
REMARK 470 GLU A 746 CG CD OE1 OE2
REMARK 470 GLN A 788 CG CD OE1 NE2
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 O HOH A 2011 O HOH A 2062 2.18
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 LEU A 690 16.41 58.91
REMARK 500 CYS A 714 82.17 -156.47
REMARK 500 ALA A 758 16.73 59.28
REMARK 500
REMARK 500 REMARK: NULL
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 ENGINEERED CRYSTALLIZATION EPITOPE MUTATIONS V729I AND
REMARK 999 L734E
DBREF 4UYI A 668 796 UNP Q8IY92 SLX4_HUMAN 668 796
SEQADV 4UYI MET A 645 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI HIS A 646 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI HIS A 647 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI HIS A 648 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI HIS A 649 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI HIS A 650 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI HIS A 651 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI SER A 652 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI SER A 653 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI GLY A 654 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI VAL A 655 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI ASP A 656 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI LEU A 657 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI GLY A 658 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI THR A 659 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI GLU A 660 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI ASN A 661 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI LEU A 662 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI TYR A 663 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI PHE A 664 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI GLN A 665 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI SER A 666 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI MET A 667 UNP Q8IY92 EXPRESSION TAG
SEQADV 4UYI ILE A 729 UNP Q8IY92 VAL 729 ENGINEERED MUTATION
SEQADV 4UYI GLU A 734 UNP Q8IY92 LEU 734 ENGINEERED MUTATION
SEQRES 1 A 152 MET HIS HIS HIS HIS HIS HIS SER SER GLY VAL ASP LEU
SEQRES 2 A 152 GLY THR GLU ASN LEU TYR PHE GLN SER MET GLY ARG THR
SEQRES 3 A 152 LEU LEU SER LEU GLY LEU LEU VAL ALA ASP PHE GLY ALA
SEQRES 4 A 152 MET VAL ASN ASN PRO HIS LEU SER ASP VAL GLN PHE GLN
SEQRES 5 A 152 THR ASP SER GLY GLU VAL LEU TYR ALA HIS LYS PHE VAL
SEQRES 6 A 152 LEU TYR ALA ARG CYS PRO LEU LEU ILE GLN TYR VAL ASN
SEQRES 7 A 152 ASN GLU GLY PHE SER ALA ILE GLU ASP GLY VAL GLU THR
SEQRES 8 A 152 GLN ARG VAL LEU LEU GLY ASP VAL SER THR GLU ALA ALA
SEQRES 9 A 152 ARG THR PHE LEU HIS TYR LEU TYR THR ALA ASP THR GLY
SEQRES 10 A 152 LEU PRO PRO GLY LEU SER SER GLU LEU SER SER LEU ALA
SEQRES 11 A 152 HIS ARG PHE GLY VAL SER GLU LEU VAL HIS LEU CYS GLU
SEQRES 12 A 152 GLN VAL PRO ILE ALA THR ASP SER GLU
FORMUL 2 HOH *93(H2 O)
HELIX 1 1 LEU A 662 ALA A 683 1 22
HELIX 2 2 HIS A 706 CYS A 714 1 9
HELIX 3 3 CYS A 714 GLY A 725 1 12
HELIX 4 4 SER A 744 ALA A 758 1 15
HELIX 5 5 PRO A 763 GLY A 765 5 3
HELIX 6 6 LEU A 766 PHE A 777 1 12
HELIX 7 7 VAL A 779 GLN A 788 1 10
SHEET 1 AA 4 VAL A 702 ALA A 705 0
SHEET 2 AA 4 VAL A 693 GLN A 696 -1 O VAL A 693 N ALA A 705
SHEET 3 AA 4 VAL A 733 LEU A 739 1 O GLN A 736 N GLN A 694
SHEET 4 AA 4 PHE A 726 GLU A 730 -1 O PHE A 726 N ARG A 737
CRYST1 142.490 142.490 50.930 90.00 90.00 120.00 H 3 2 18
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 0.007018 0.004052 0.000000 0.00000
SCALE2 0.000000 0.008104 0.000000 0.00000
SCALE3 0.000000 0.000000 0.019635 0.00000
(ATOM LINES ARE NOT SHOWN.)
END
