HEADER LIGAND BINDING PROTEIN 08-JAN-07 2JNC
TITLE REFINED 3D NMR STRUCTURE OF ECD1 OF MCRF-R2BETA AT PH 5
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CORTICOTROPIN-RELEASING FACTOR RECEPTOR 2;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 39-133;
COMPND 5 SYNONYM: CRF-R 2, CRF2, CORTICOTROPIN-RELEASING HORMONE RECEPTOR 2,
COMPND 6 CRH-R 2, CRF-RB, CRH- R2;
COMPND 7 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 GENE: CRHR2, CRF2R;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET-32A(+)(NOVAGEN)
KEYWDS SCR FOLD, ELLIPTICAL B-SANDWICH, LIGAND BINDING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.R.R.GRACE,M.H.PERRIN,G.JOZSEF,M.R.DIGRUCCIO,J.P.CANTLE,J.E.RIVIER,
AUTHOR 2 W.W.VALE,R.RIEK
REVDAT 5 20-DEC-23 2JNC 1 REMARK
REVDAT 4 09-MAR-22 2JNC 1 REMARK SEQADV
REVDAT 3 24-FEB-09 2JNC 1 VERSN
REVDAT 2 27-MAR-07 2JNC 1 JRNL
REVDAT 1 13-MAR-07 2JNC 0
JRNL AUTH C.R.R.GRACE,M.H.PERRIN,G.JOZSEF,M.R.DIGRUCCIO,J.P.CANTLE,
JRNL AUTH 2 J.E.RIVIER,W.W.VALE,R.RIEK
JRNL TITL STRUCTURE OF THE N-TERMINAL DOMAIN OF A TYPE B1 G
JRNL TITL 2 PROTEIN-COUPLED RECEPTOR IN COMPLEX WITH A PEPTIDE LIGAND
JRNL REF PROC.NATL.ACAD.SCI.USA V. 104 4858 2007
JRNL REFN ISSN 0027-8424
JRNL PMID 17360332
JRNL DOI 10.1073/PNAS.0700682104
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XEASY, CYANA 1.0.6
REMARK 3 AUTHORS : BARTELS ET AL. (XEASY), GUNTERT, MUMENTHALER AND
REMARK 3 WUTHRICH (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2JNC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JAN-07.
REMARK 100 THE DEPOSITION ID IS D_1000100048.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303.15
REMARK 210 PH : 5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.3 MM [U-100% 13C, U-100% 15N]
REMARK 210 ECD1-CRF-R2BETA, 10 MM
REMARK 210 BISTRIS(HCL), 95% H2O, 5% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 3D HNCA; 3D HCCH
REMARK 210 -TOCSY; 3D 1H-15N NOESY; 3D 1H-
REMARK 210 13C NOESY; 2D 1H-13C HSQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XEASY, CYANA 1.0.6, CNS, MOLMOL
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
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: MONOMERIC
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 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 1 GLY A 15
REMARK 465 1 SER A 16
REMARK 465 1 GLY A 17
REMARK 465 1 MET A 18
REMARK 465 1 LYS A 19
REMARK 465 1 GLU A 20
REMARK 465 1 THR A 21
REMARK 465 1 ALA A 22
REMARK 465 1 ALA A 23
REMARK 465 1 ALA A 24
REMARK 465 1 LYS A 25
REMARK 465 1 PHE A 26
REMARK 465 1 GLU A 27
REMARK 465 1 ARG A 28
REMARK 465 1 GLN A 29
REMARK 465 1 HIS A 30
REMARK 465 1 MET A 31
REMARK 465 1 ASP A 32
REMARK 465 1 SER A 33
REMARK 465 1 PRO A 34
REMARK 465 1 ASP A 35
REMARK 465 1 LEU A 36
REMARK 465 1 GLY A 37
REMARK 465 1 THR A 38
REMARK 465 1 THR A 39
REMARK 465 1 LEU A 40
REMARK 465 1 LEU A 41
REMARK 465 1 GLU A 42
REMARK 465 1 GLN A 43
REMARK 465 1 LEU A 122
REMARK 465 1 ASP A 123
REMARK 465 1 ASP A 124
REMARK 465 1 PHE A 125
REMARK 465 1 GLN A 126
REMARK 465 1 ARG A 127
REMARK 465 1 LYS A 128
REMARK 465 1 TYR A 129
REMARK 465 1 ASP A 130
REMARK 465 1 LEU A 131
REMARK 465 1 HIS A 132
REMARK 465 1 TYR A 133
REMARK 465 2 GLY A 15
REMARK 465 2 SER A 16
REMARK 465 2 GLY A 17
REMARK 465 2 MET A 18
REMARK 465 2 LYS A 19
REMARK 465 2 GLU A 20
REMARK 465 2 THR A 21
REMARK 465 2 ALA A 22
REMARK 465 2 ALA A 23
REMARK 465 2 ALA A 24
REMARK 465 2 LYS A 25
REMARK 465 2 PHE A 26
REMARK 465 2 GLU A 27
REMARK 465 2 ARG A 28
REMARK 465 2 GLN A 29
REMARK 465 2 HIS A 30
REMARK 465 2 MET A 31
REMARK 465 2 ASP A 32
REMARK 465 2 SER A 33
REMARK 465 2 PRO A 34
REMARK 465 2 ASP A 35
REMARK 465 2 LEU A 36
REMARK 465 2 GLY A 37
REMARK 465 2 THR A 38
REMARK 465 2 THR A 39
REMARK 465 2 LEU A 40
REMARK 465 2 LEU A 41
REMARK 465 2 GLU A 42
REMARK 465 2 GLN A 43
REMARK 465 2 LEU A 122
REMARK 465 2 ASP A 123
REMARK 465 2 ASP A 124
REMARK 465 2 PHE A 125
REMARK 465 2 GLN A 126
REMARK 465 2 ARG A 127
REMARK 465 2 LYS A 128
REMARK 465 2 TYR A 129
REMARK 465 2 ASP A 130
REMARK 465 2 LEU A 131
REMARK 465 2 HIS A 132
REMARK 465 2 TYR A 133
REMARK 465 3 GLY A 15
REMARK 465 3 SER A 16
REMARK 465 3 GLY A 17
REMARK 465 3 MET A 18
REMARK 465 3 LYS A 19
REMARK 465 3 GLU A 20
REMARK 465 3 THR A 21
REMARK 465 3 ALA A 22
REMARK 465 3 ALA A 23
REMARK 465 3 ALA A 24
REMARK 465 3 LYS A 25
REMARK 465 3 PHE A 26
REMARK 465 3 GLU A 27
REMARK 465 3 ARG A 28
REMARK 465 3 GLN A 29
REMARK 465 3 HIS A 30
REMARK 465 3 MET A 31
REMARK 465 3 ASP A 32
REMARK 465 3 SER A 33
REMARK 465 3 PRO A 34
REMARK 465 3 ASP A 35
REMARK 465 3 LEU A 36
REMARK 465 3 GLY A 37
REMARK 465 3 THR A 38
REMARK 465 3 THR A 39
REMARK 465 3 LEU A 40
REMARK 465 3 LEU A 41
REMARK 465 3 GLU A 42
REMARK 465 3 GLN A 43
REMARK 465 3 LEU A 122
REMARK 465 3 ASP A 123
REMARK 465 3 ASP A 124
REMARK 465 3 PHE A 125
REMARK 465 3 GLN A 126
REMARK 465 3 ARG A 127
REMARK 465 3 LYS A 128
REMARK 465 3 TYR A 129
REMARK 465 3 ASP A 130
REMARK 465 3 LEU A 131
REMARK 465 3 HIS A 132
REMARK 465 3 TYR A 133
REMARK 465 4 GLY A 15
REMARK 465 4 SER A 16
REMARK 465 4 GLY A 17
REMARK 465 4 MET A 18
REMARK 465 4 LYS A 19
REMARK 465 4 GLU A 20
REMARK 465 4 THR A 21
REMARK 465 4 ALA A 22
REMARK 465 4 ALA A 23
REMARK 465 4 ALA A 24
REMARK 465 4 LYS A 25
REMARK 465 4 PHE A 26
REMARK 465 4 GLU A 27
REMARK 465 4 ARG A 28
REMARK 465 4 GLN A 29
REMARK 465 4 HIS A 30
REMARK 465 4 MET A 31
REMARK 465 4 ASP A 32
REMARK 465 4 SER A 33
REMARK 465 4 PRO A 34
REMARK 465 4 ASP A 35
REMARK 465 4 LEU A 36
REMARK 465 4 GLY A 37
REMARK 465 4 THR A 38
REMARK 465 4 THR A 39
REMARK 465 4 LEU A 40
REMARK 465 4 LEU A 41
REMARK 465 4 GLU A 42
REMARK 465 4 GLN A 43
REMARK 465 4 LEU A 122
REMARK 465 4 ASP A 123
REMARK 465 4 ASP A 124
REMARK 465 4 PHE A 125
REMARK 465 4 GLN A 126
REMARK 465 4 ARG A 127
REMARK 465 4 LYS A 128
REMARK 465 4 TYR A 129
REMARK 465 4 ASP A 130
REMARK 465 4 LEU A 131
REMARK 465 4 HIS A 132
REMARK 465 4 TYR A 133
REMARK 465 5 GLY A 15
REMARK 465 5 SER A 16
REMARK 465 5 GLY A 17
REMARK 465 5 MET A 18
REMARK 465 5 LYS A 19
REMARK 465 5 GLU A 20
REMARK 465 5 THR A 21
REMARK 465 5 ALA A 22
REMARK 465 5 ALA A 23
REMARK 465 5 ALA A 24
REMARK 465 5 LYS A 25
REMARK 465 5 PHE A 26
REMARK 465 5 GLU A 27
REMARK 465 5 ARG A 28
REMARK 465 5 GLN A 29
REMARK 465 5 HIS A 30
REMARK 465 5 MET A 31
REMARK 465 5 ASP A 32
REMARK 465 5 SER A 33
REMARK 465 5 PRO A 34
REMARK 465 5 ASP A 35
REMARK 465 5 LEU A 36
REMARK 465 5 GLY A 37
REMARK 465 5 THR A 38
REMARK 465 5 THR A 39
REMARK 465 5 LEU A 40
REMARK 465 5 LEU A 41
REMARK 465 5 GLU A 42
REMARK 465 5 GLN A 43
REMARK 465 5 LEU A 122
REMARK 465 5 ASP A 123
REMARK 465 5 ASP A 124
REMARK 465 5 PHE A 125
REMARK 465 5 GLN A 126
REMARK 465 5 ARG A 127
REMARK 465 5 LYS A 128
REMARK 465 5 TYR A 129
REMARK 465 5 ASP A 130
REMARK 465 5 LEU A 131
REMARK 465 5 HIS A 132
REMARK 465 5 TYR A 133
REMARK 465 6 GLY A 15
REMARK 465 6 SER A 16
REMARK 465 6 GLY A 17
REMARK 465 6 MET A 18
REMARK 465 6 LYS A 19
REMARK 465 6 GLU A 20
REMARK 465 6 THR A 21
REMARK 465 6 ALA A 22
REMARK 465 6 ALA A 23
REMARK 465 6 ALA A 24
REMARK 465 6 LYS A 25
REMARK 465 6 PHE A 26
REMARK 465 6 GLU A 27
REMARK 465 6 ARG A 28
REMARK 465 6 GLN A 29
REMARK 465 6 HIS A 30
REMARK 465 6 MET A 31
REMARK 465 6 ASP A 32
REMARK 465 6 SER A 33
REMARK 465 6 PRO A 34
REMARK 465 6 ASP A 35
REMARK 465 6 LEU A 36
REMARK 465 6 GLY A 37
REMARK 465 6 THR A 38
REMARK 465 6 THR A 39
REMARK 465 6 LEU A 40
REMARK 465 6 LEU A 41
REMARK 465 6 GLU A 42
REMARK 465 6 GLN A 43
REMARK 465 6 LEU A 122
REMARK 465 6 ASP A 123
REMARK 465 6 ASP A 124
REMARK 465 6 PHE A 125
REMARK 465 6 GLN A 126
REMARK 465 6 ARG A 127
REMARK 465 6 LYS A 128
REMARK 465 6 TYR A 129
REMARK 465 6 ASP A 130
REMARK 465 6 LEU A 131
REMARK 465 6 HIS A 132
REMARK 465 6 TYR A 133
REMARK 465 7 GLY A 15
REMARK 465 7 SER A 16
REMARK 465 7 GLY A 17
REMARK 465 7 MET A 18
REMARK 465 7 LYS A 19
REMARK 465 7 GLU A 20
REMARK 465 7 THR A 21
REMARK 465 7 ALA A 22
REMARK 465 7 ALA A 23
REMARK 465 7 ALA A 24
REMARK 465 7 LYS A 25
REMARK 465 7 PHE A 26
REMARK 465 7 GLU A 27
REMARK 465 7 ARG A 28
REMARK 465 7 GLN A 29
REMARK 465 7 HIS A 30
REMARK 465 7 MET A 31
REMARK 465 7 ASP A 32
REMARK 465 7 SER A 33
REMARK 465 7 PRO A 34
REMARK 465 7 ASP A 35
REMARK 465 7 LEU A 36
REMARK 465 7 GLY A 37
REMARK 465 7 THR A 38
REMARK 465 7 THR A 39
REMARK 465 7 LEU A 40
REMARK 465 7 LEU A 41
REMARK 465 7 GLU A 42
REMARK 465 7 GLN A 43
REMARK 465 7 LEU A 122
REMARK 465 7 ASP A 123
REMARK 465 7 ASP A 124
REMARK 465 7 PHE A 125
REMARK 465 7 GLN A 126
REMARK 465 7 ARG A 127
REMARK 465 7 LYS A 128
REMARK 465 7 TYR A 129
REMARK 465 7 ASP A 130
REMARK 465 7 LEU A 131
REMARK 465 7 HIS A 132
REMARK 465 7 TYR A 133
REMARK 465 8 GLY A 15
REMARK 465 8 SER A 16
REMARK 465 8 GLY A 17
REMARK 465 8 MET A 18
REMARK 465 8 LYS A 19
REMARK 465 8 GLU A 20
REMARK 465 8 THR A 21
REMARK 465 8 ALA A 22
REMARK 465 8 ALA A 23
REMARK 465 8 ALA A 24
REMARK 465 8 LYS A 25
REMARK 465 8 PHE A 26
REMARK 465 8 GLU A 27
REMARK 465 8 ARG A 28
REMARK 465 8 GLN A 29
REMARK 465 8 HIS A 30
REMARK 465 8 MET A 31
REMARK 465 8 ASP A 32
REMARK 465 8 SER A 33
REMARK 465 8 PRO A 34
REMARK 465 8 ASP A 35
REMARK 465 8 LEU A 36
REMARK 465 8 GLY A 37
REMARK 465 8 THR A 38
REMARK 465 8 THR A 39
REMARK 465 8 LEU A 40
REMARK 465 8 LEU A 41
REMARK 465 8 GLU A 42
REMARK 465 8 GLN A 43
REMARK 465 8 LEU A 122
REMARK 465 8 ASP A 123
REMARK 465 8 ASP A 124
REMARK 465 8 PHE A 125
REMARK 465 8 GLN A 126
REMARK 465 8 ARG A 127
REMARK 465 8 LYS A 128
REMARK 465 8 TYR A 129
REMARK 465 8 ASP A 130
REMARK 465 8 LEU A 131
REMARK 465 8 HIS A 132
REMARK 465 8 TYR A 133
REMARK 465 9 GLY A 15
REMARK 465 9 SER A 16
REMARK 465 9 GLY A 17
REMARK 465 9 MET A 18
REMARK 465 9 LYS A 19
REMARK 465 9 GLU A 20
REMARK 465 9 THR A 21
REMARK 465 9 ALA A 22
REMARK 465 9 ALA A 23
REMARK 465 9 ALA A 24
REMARK 465 9 LYS A 25
REMARK 465 9 PHE A 26
REMARK 465 9 GLU A 27
REMARK 465 9 ARG A 28
REMARK 465 9 GLN A 29
REMARK 465 9 HIS A 30
REMARK 465 9 MET A 31
REMARK 465 9 ASP A 32
REMARK 465 9 SER A 33
REMARK 465 9 PRO A 34
REMARK 465 9 ASP A 35
REMARK 465 9 LEU A 36
REMARK 465 9 GLY A 37
REMARK 465 9 THR A 38
REMARK 465 9 THR A 39
REMARK 465 9 LEU A 40
REMARK 465 9 LEU A 41
REMARK 465 9 GLU A 42
REMARK 465 9 GLN A 43
REMARK 465 9 LEU A 122
REMARK 465 9 ASP A 123
REMARK 465 9 ASP A 124
REMARK 465 9 PHE A 125
REMARK 465 9 GLN A 126
REMARK 465 9 ARG A 127
REMARK 465 9 LYS A 128
REMARK 465 9 TYR A 129
REMARK 465 9 ASP A 130
REMARK 465 9 LEU A 131
REMARK 465 9 HIS A 132
REMARK 465 9 TYR A 133
REMARK 465 10 GLY A 15
REMARK 465 10 SER A 16
REMARK 465 10 GLY A 17
REMARK 465 10 MET A 18
REMARK 465 10 LYS A 19
REMARK 465 10 GLU A 20
REMARK 465 10 THR A 21
REMARK 465 10 ALA A 22
REMARK 465 10 ALA A 23
REMARK 465 10 ALA A 24
REMARK 465 10 LYS A 25
REMARK 465 10 PHE A 26
REMARK 465 10 GLU A 27
REMARK 465 10 ARG A 28
REMARK 465 10 GLN A 29
REMARK 465 10 HIS A 30
REMARK 465 10 MET A 31
REMARK 465 10 ASP A 32
REMARK 465 10 SER A 33
REMARK 465 10 PRO A 34
REMARK 465 10 ASP A 35
REMARK 465 10 LEU A 36
REMARK 465 10 GLY A 37
REMARK 465 10 THR A 38
REMARK 465 10 THR A 39
REMARK 465 10 LEU A 40
REMARK 465 10 LEU A 41
REMARK 465 10 GLU A 42
REMARK 465 10 GLN A 43
REMARK 465 10 LEU A 122
REMARK 465 10 ASP A 123
REMARK 465 10 ASP A 124
REMARK 465 10 PHE A 125
REMARK 465 10 GLN A 126
REMARK 465 10 ARG A 127
REMARK 465 10 LYS A 128
REMARK 465 10 TYR A 129
REMARK 465 10 ASP A 130
REMARK 465 10 LEU A 131
REMARK 465 10 HIS A 132
REMARK 465 10 TYR A 133
REMARK 465 11 GLY A 15
REMARK 465 11 SER A 16
REMARK 465 11 GLY A 17
REMARK 465 11 MET A 18
REMARK 465 11 LYS A 19
REMARK 465 11 GLU A 20
REMARK 465 11 THR A 21
REMARK 465 11 ALA A 22
REMARK 465 11 ALA A 23
REMARK 465 11 ALA A 24
REMARK 465 11 LYS A 25
REMARK 465 11 PHE A 26
REMARK 465 11 GLU A 27
REMARK 465 11 ARG A 28
REMARK 465 11 GLN A 29
REMARK 465 11 HIS A 30
REMARK 465 11 MET A 31
REMARK 465 11 ASP A 32
REMARK 465 11 SER A 33
REMARK 465 11 PRO A 34
REMARK 465 11 ASP A 35
REMARK 465 11 LEU A 36
REMARK 465 11 GLY A 37
REMARK 465 11 THR A 38
REMARK 465 11 THR A 39
REMARK 465 11 LEU A 40
REMARK 465 11 LEU A 41
REMARK 465 11 GLU A 42
REMARK 465 11 GLN A 43
REMARK 465 11 LEU A 122
REMARK 465 11 ASP A 123
REMARK 465 11 ASP A 124
REMARK 465 11 PHE A 125
REMARK 465 11 GLN A 126
REMARK 465 11 ARG A 127
REMARK 465 11 LYS A 128
REMARK 465 11 TYR A 129
REMARK 465 11 ASP A 130
REMARK 465 11 LEU A 131
REMARK 465 11 HIS A 132
REMARK 465 11 TYR A 133
REMARK 465 12 GLY A 15
REMARK 465 12 SER A 16
REMARK 465 12 GLY A 17
REMARK 465 12 MET A 18
REMARK 465 12 LYS A 19
REMARK 465 12 GLU A 20
REMARK 465 12 THR A 21
REMARK 465 12 ALA A 22
REMARK 465 12 ALA A 23
REMARK 465 12 ALA A 24
REMARK 465 12 LYS A 25
REMARK 465 12 PHE A 26
REMARK 465 12 GLU A 27
REMARK 465 12 ARG A 28
REMARK 465 12 GLN A 29
REMARK 465 12 HIS A 30
REMARK 465 12 MET A 31
REMARK 465 12 ASP A 32
REMARK 465 12 SER A 33
REMARK 465 12 PRO A 34
REMARK 465 12 ASP A 35
REMARK 465 12 LEU A 36
REMARK 465 12 GLY A 37
REMARK 465 12 THR A 38
REMARK 465 12 THR A 39
REMARK 465 12 LEU A 40
REMARK 465 12 LEU A 41
REMARK 465 12 GLU A 42
REMARK 465 12 GLN A 43
REMARK 465 12 LEU A 122
REMARK 465 12 ASP A 123
REMARK 465 12 ASP A 124
REMARK 465 12 PHE A 125
REMARK 465 12 GLN A 126
REMARK 465 12 ARG A 127
REMARK 465 12 LYS A 128
REMARK 465 12 TYR A 129
REMARK 465 12 ASP A 130
REMARK 465 12 LEU A 131
REMARK 465 12 HIS A 132
REMARK 465 12 TYR A 133
REMARK 465 13 GLY A 15
REMARK 465 13 SER A 16
REMARK 465 13 GLY A 17
REMARK 465 13 MET A 18
REMARK 465 13 LYS A 19
REMARK 465 13 GLU A 20
REMARK 465 13 THR A 21
REMARK 465 13 ALA A 22
REMARK 465 13 ALA A 23
REMARK 465 13 ALA A 24
REMARK 465 13 LYS A 25
REMARK 465 13 PHE A 26
REMARK 465 13 GLU A 27
REMARK 465 13 ARG A 28
REMARK 465 13 GLN A 29
REMARK 465 13 HIS A 30
REMARK 465 13 MET A 31
REMARK 465 13 ASP A 32
REMARK 465 13 SER A 33
REMARK 465 13 PRO A 34
REMARK 465 13 ASP A 35
REMARK 465 13 LEU A 36
REMARK 465 13 GLY A 37
REMARK 465 13 THR A 38
REMARK 465 13 THR A 39
REMARK 465 13 LEU A 40
REMARK 465 13 LEU A 41
REMARK 465 13 GLU A 42
REMARK 465 13 GLN A 43
REMARK 465 13 LEU A 122
REMARK 465 13 ASP A 123
REMARK 465 13 ASP A 124
REMARK 465 13 PHE A 125
REMARK 465 13 GLN A 126
REMARK 465 13 ARG A 127
REMARK 465 13 LYS A 128
REMARK 465 13 TYR A 129
REMARK 465 13 ASP A 130
REMARK 465 13 LEU A 131
REMARK 465 13 HIS A 132
REMARK 465 13 TYR A 133
REMARK 465 14 GLY A 15
REMARK 465 14 SER A 16
REMARK 465 14 GLY A 17
REMARK 465 14 MET A 18
REMARK 465 14 LYS A 19
REMARK 465 14 GLU A 20
REMARK 465 14 THR A 21
REMARK 465 14 ALA A 22
REMARK 465 14 ALA A 23
REMARK 465 14 ALA A 24
REMARK 465 14 LYS A 25
REMARK 465 14 PHE A 26
REMARK 465 14 GLU A 27
REMARK 465 14 ARG A 28
REMARK 465 14 GLN A 29
REMARK 465 14 HIS A 30
REMARK 465 14 MET A 31
REMARK 465 14 ASP A 32
REMARK 465 14 SER A 33
REMARK 465 14 PRO A 34
REMARK 465 14 ASP A 35
REMARK 465 14 LEU A 36
REMARK 465 14 GLY A 37
REMARK 465 14 THR A 38
REMARK 465 14 THR A 39
REMARK 465 14 LEU A 40
REMARK 465 14 LEU A 41
REMARK 465 14 GLU A 42
REMARK 465 14 GLN A 43
REMARK 465 14 LYS A 92
REMARK 465 14 LEU A 122
REMARK 465 14 ASP A 123
REMARK 465 14 ASP A 124
REMARK 465 14 PHE A 125
REMARK 465 14 GLN A 126
REMARK 465 14 ARG A 127
REMARK 465 14 LYS A 128
REMARK 465 14 TYR A 129
REMARK 465 14 ASP A 130
REMARK 465 14 LEU A 131
REMARK 465 14 HIS A 132
REMARK 465 14 TYR A 133
REMARK 465 15 GLY A 15
REMARK 465 15 SER A 16
REMARK 465 15 GLY A 17
REMARK 465 15 MET A 18
REMARK 465 15 LYS A 19
REMARK 465 15 GLU A 20
REMARK 465 15 THR A 21
REMARK 465 15 ALA A 22
REMARK 465 15 ALA A 23
REMARK 465 15 ALA A 24
REMARK 465 15 LYS A 25
REMARK 465 15 PHE A 26
REMARK 465 15 GLU A 27
REMARK 465 15 ARG A 28
REMARK 465 15 GLN A 29
REMARK 465 15 HIS A 30
REMARK 465 15 MET A 31
REMARK 465 15 ASP A 32
REMARK 465 15 SER A 33
REMARK 465 15 PRO A 34
REMARK 465 15 ASP A 35
REMARK 465 15 LEU A 36
REMARK 465 15 GLY A 37
REMARK 465 15 THR A 38
REMARK 465 15 THR A 39
REMARK 465 15 LEU A 40
REMARK 465 15 LEU A 41
REMARK 465 15 GLU A 42
REMARK 465 15 GLN A 43
REMARK 465 15 LEU A 122
REMARK 465 15 ASP A 123
REMARK 465 15 ASP A 124
REMARK 465 15 PHE A 125
REMARK 465 15 GLN A 126
REMARK 465 15 ARG A 127
REMARK 465 15 LYS A 128
REMARK 465 15 TYR A 129
REMARK 465 15 ASP A 130
REMARK 465 15 LEU A 131
REMARK 465 15 HIS A 132
REMARK 465 15 TYR A 133
REMARK 465 16 GLY A 15
REMARK 465 16 SER A 16
REMARK 465 16 GLY A 17
REMARK 465 16 MET A 18
REMARK 465 16 LYS A 19
REMARK 465 16 GLU A 20
REMARK 465 16 THR A 21
REMARK 465 16 ALA A 22
REMARK 465 16 ALA A 23
REMARK 465 16 ALA A 24
REMARK 465 16 LYS A 25
REMARK 465 16 PHE A 26
REMARK 465 16 GLU A 27
REMARK 465 16 ARG A 28
REMARK 465 16 GLN A 29
REMARK 465 16 HIS A 30
REMARK 465 16 MET A 31
REMARK 465 16 ASP A 32
REMARK 465 16 SER A 33
REMARK 465 16 PRO A 34
REMARK 465 16 ASP A 35
REMARK 465 16 LEU A 36
REMARK 465 16 GLY A 37
REMARK 465 16 THR A 38
REMARK 465 16 THR A 39
REMARK 465 16 LEU A 40
REMARK 465 16 LEU A 41
REMARK 465 16 GLU A 42
REMARK 465 16 GLN A 43
REMARK 465 16 LEU A 122
REMARK 465 16 ASP A 123
REMARK 465 16 ASP A 124
REMARK 465 16 PHE A 125
REMARK 465 16 GLN A 126
REMARK 465 16 ARG A 127
REMARK 465 16 LYS A 128
REMARK 465 16 TYR A 129
REMARK 465 16 ASP A 130
REMARK 465 16 LEU A 131
REMARK 465 16 HIS A 132
REMARK 465 16 TYR A 133
REMARK 465 17 GLY A 15
REMARK 465 17 SER A 16
REMARK 465 17 GLY A 17
REMARK 465 17 MET A 18
REMARK 465 17 LYS A 19
REMARK 465 17 GLU A 20
REMARK 465 17 THR A 21
REMARK 465 17 ALA A 22
REMARK 465 17 ALA A 23
REMARK 465 17 ALA A 24
REMARK 465 17 LYS A 25
REMARK 465 17 PHE A 26
REMARK 465 17 GLU A 27
REMARK 465 17 ARG A 28
REMARK 465 17 GLN A 29
REMARK 465 17 HIS A 30
REMARK 465 17 MET A 31
REMARK 465 17 ASP A 32
REMARK 465 17 SER A 33
REMARK 465 17 PRO A 34
REMARK 465 17 ASP A 35
REMARK 465 17 LEU A 36
REMARK 465 17 GLY A 37
REMARK 465 17 THR A 38
REMARK 465 17 THR A 39
REMARK 465 17 LEU A 40
REMARK 465 17 LEU A 41
REMARK 465 17 GLU A 42
REMARK 465 17 GLN A 43
REMARK 465 17 LEU A 122
REMARK 465 17 ASP A 123
REMARK 465 17 ASP A 124
REMARK 465 17 PHE A 125
REMARK 465 17 GLN A 126
REMARK 465 17 ARG A 127
REMARK 465 17 LYS A 128
REMARK 465 17 TYR A 129
REMARK 465 17 ASP A 130
REMARK 465 17 LEU A 131
REMARK 465 17 HIS A 132
REMARK 465 17 TYR A 133
REMARK 465 18 GLY A 15
REMARK 465 18 SER A 16
REMARK 465 18 GLY A 17
REMARK 465 18 MET A 18
REMARK 465 18 LYS A 19
REMARK 465 18 GLU A 20
REMARK 465 18 THR A 21
REMARK 465 18 ALA A 22
REMARK 465 18 ALA A 23
REMARK 465 18 ALA A 24
REMARK 465 18 LYS A 25
REMARK 465 18 PHE A 26
REMARK 465 18 GLU A 27
REMARK 465 18 ARG A 28
REMARK 465 18 GLN A 29
REMARK 465 18 HIS A 30
REMARK 465 18 MET A 31
REMARK 465 18 ASP A 32
REMARK 465 18 SER A 33
REMARK 465 18 PRO A 34
REMARK 465 18 ASP A 35
REMARK 465 18 LEU A 36
REMARK 465 18 GLY A 37
REMARK 465 18 THR A 38
REMARK 465 18 THR A 39
REMARK 465 18 LEU A 40
REMARK 465 18 LEU A 41
REMARK 465 18 GLU A 42
REMARK 465 18 GLN A 43
REMARK 465 18 LEU A 122
REMARK 465 18 ASP A 123
REMARK 465 18 ASP A 124
REMARK 465 18 PHE A 125
REMARK 465 18 GLN A 126
REMARK 465 18 ARG A 127
REMARK 465 18 LYS A 128
REMARK 465 18 TYR A 129
REMARK 465 18 ASP A 130
REMARK 465 18 LEU A 131
REMARK 465 18 HIS A 132
REMARK 465 18 TYR A 133
REMARK 465 19 GLY A 15
REMARK 465 19 SER A 16
REMARK 465 19 GLY A 17
REMARK 465 19 MET A 18
REMARK 465 19 LYS A 19
REMARK 465 19 GLU A 20
REMARK 465 19 THR A 21
REMARK 465 19 ALA A 22
REMARK 465 19 ALA A 23
REMARK 465 19 ALA A 24
REMARK 465 19 LYS A 25
REMARK 465 19 PHE A 26
REMARK 465 19 GLU A 27
REMARK 465 19 ARG A 28
REMARK 465 19 GLN A 29
REMARK 465 19 HIS A 30
REMARK 465 19 MET A 31
REMARK 465 19 ASP A 32
REMARK 465 19 SER A 33
REMARK 465 19 PRO A 34
REMARK 465 19 ASP A 35
REMARK 465 19 LEU A 36
REMARK 465 19 GLY A 37
REMARK 465 19 THR A 38
REMARK 465 19 THR A 39
REMARK 465 19 LEU A 40
REMARK 465 19 LEU A 41
REMARK 465 19 GLU A 42
REMARK 465 19 GLN A 43
REMARK 465 19 LEU A 122
REMARK 465 19 ASP A 123
REMARK 465 19 ASP A 124
REMARK 465 19 PHE A 125
REMARK 465 19 GLN A 126
REMARK 465 19 ARG A 127
REMARK 465 19 LYS A 128
REMARK 465 19 TYR A 129
REMARK 465 19 ASP A 130
REMARK 465 19 LEU A 131
REMARK 465 19 HIS A 132
REMARK 465 19 TYR A 133
REMARK 465 20 GLY A 15
REMARK 465 20 SER A 16
REMARK 465 20 GLY A 17
REMARK 465 20 MET A 18
REMARK 465 20 LYS A 19
REMARK 465 20 GLU A 20
REMARK 465 20 THR A 21
REMARK 465 20 ALA A 22
REMARK 465 20 ALA A 23
REMARK 465 20 ALA A 24
REMARK 465 20 LYS A 25
REMARK 465 20 PHE A 26
REMARK 465 20 GLU A 27
REMARK 465 20 ARG A 28
REMARK 465 20 GLN A 29
REMARK 465 20 HIS A 30
REMARK 465 20 MET A 31
REMARK 465 20 ASP A 32
REMARK 465 20 SER A 33
REMARK 465 20 PRO A 34
REMARK 465 20 ASP A 35
REMARK 465 20 LEU A 36
REMARK 465 20 GLY A 37
REMARK 465 20 THR A 38
REMARK 465 20 THR A 39
REMARK 465 20 LEU A 40
REMARK 465 20 LEU A 41
REMARK 465 20 GLU A 42
REMARK 465 20 GLN A 43
REMARK 465 20 LEU A 122
REMARK 465 20 ASP A 123
REMARK 465 20 ASP A 124
REMARK 465 20 PHE A 125
REMARK 465 20 GLN A 126
REMARK 465 20 ARG A 127
REMARK 465 20 LYS A 128
REMARK 465 20 TYR A 129
REMARK 465 20 ASP A 130
REMARK 465 20 LEU A 131
REMARK 465 20 HIS A 132
REMARK 465 20 TYR A 133
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
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 ASN A 89 HZ2 LYS A 92 1.37
REMARK 500 O GLU A 81 HH11 ARG A 82 1.49
REMARK 500 OE2 GLU A 86 HH TYR A 87 1.53
REMARK 500 H VAL A 80 O ARG A 101 1.53
REMARK 500 O VAL A 80 H ARG A 101 1.56
REMARK 500 OE1 GLU A 102 HE ARG A 112 1.57
REMARK 500 OD1 ASP A 65 HE1 TRP A 71 1.58
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 1 ARG A 47 168.78 70.26
REMARK 500 1 SER A 54 89.98 70.04
REMARK 500 1 THR A 58 107.73 -47.78
REMARK 500 1 THR A 62 94.94 -57.23
REMARK 500 1 ASP A 65 -166.85 -105.42
REMARK 500 1 GLN A 73 106.47 -59.14
REMARK 500 1 SER A 74 -77.09 -94.62
REMARK 500 1 ALA A 75 132.00 170.56
REMARK 500 1 PRO A 76 107.70 -56.39
REMARK 500 1 TYR A 93 -177.20 -176.53
REMARK 500 1 ASN A 94 65.05 71.97
REMARK 500 1 THR A 95 58.97 -108.53
REMARK 500 1 THR A 96 -47.41 -142.50
REMARK 500 1 ARG A 112 -89.27 -82.66
REMARK 500 1 VAL A 113 171.62 75.45
REMARK 500 1 CYS A 118 -115.73 -114.80
REMARK 500 1 GLU A 119 150.01 177.40
REMARK 500 2 ARG A 47 157.13 81.26
REMARK 500 2 THR A 48 -60.67 -158.62
REMARK 500 2 SER A 54 49.16 38.12
REMARK 500 2 PRO A 56 -176.75 -68.90
REMARK 500 2 CYS A 60 -175.11 -68.72
REMARK 500 2 THR A 62 109.12 -43.21
REMARK 500 2 THR A 69 120.98 71.25
REMARK 500 2 GLN A 73 80.72 -67.38
REMARK 500 2 ALA A 75 154.85 171.57
REMARK 500 2 PRO A 83 128.71 -39.20
REMARK 500 2 GLU A 86 -148.94 -80.49
REMARK 500 2 TYR A 87 95.06 -50.53
REMARK 500 2 ILE A 91 85.43 -167.03
REMARK 500 2 THR A 95 53.07 -90.90
REMARK 500 2 ARG A 97 164.67 71.97
REMARK 500 2 SER A 111 43.28 -87.59
REMARK 500 2 ASN A 114 76.17 -107.43
REMARK 500 2 GLU A 119 174.62 71.30
REMARK 500 3 HIS A 46 -143.87 -163.42
REMARK 500 3 ARG A 47 -53.34 -136.87
REMARK 500 3 THR A 49 -155.11 -105.58
REMARK 500 3 ASN A 52 154.90 77.12
REMARK 500 3 PHE A 53 104.56 -55.97
REMARK 500 3 PRO A 56 -158.48 -88.58
REMARK 500 3 THR A 62 96.04 -63.58
REMARK 500 3 ASP A 65 -166.46 -123.07
REMARK 500 3 THR A 69 -163.04 -160.04
REMARK 500 3 SER A 74 -79.27 -128.76
REMARK 500 3 ALA A 75 147.86 173.90
REMARK 500 3 GLU A 86 -126.33 53.35
REMARK 500 3 CYS A 118 65.01 -65.94
REMARK 500 4 HIS A 46 -161.57 -79.56
REMARK 500 4 PHE A 53 149.61 -174.13
REMARK 500
REMARK 500 THIS ENTRY HAS 394 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 2JND RELATED DB: PDB
REMARK 900 3D NMR STRUCTURE OF ECD1 IN COMPLEX WITH ASTRESSIN AT PH 5
REMARK 900 RELATED ID: 1U34 RELATED DB: PDB
REMARK 900 3D NMR STRUCTURE OF ECD1 OF MCRF-R2B AT PH 7.4
DBREF 2JNC A 39 133 UNP Q60748 CRFR2_MOUSE 39 133
SEQADV 2JNC GLY A 15 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC SER A 16 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC GLY A 17 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC MET A 18 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC LYS A 19 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC GLU A 20 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC THR A 21 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC ALA A 22 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC ALA A 23 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC ALA A 24 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC LYS A 25 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC PHE A 26 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC GLU A 27 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC ARG A 28 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC GLN A 29 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC HIS A 30 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC MET A 31 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC ASP A 32 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC SER A 33 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC PRO A 34 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC ASP A 35 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC LEU A 36 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC GLY A 37 UNP Q60748 CLONING ARTIFACT
SEQADV 2JNC THR A 38 UNP Q60748 CLONING ARTIFACT
SEQRES 1 A 119 GLY SER GLY MET LYS GLU THR ALA ALA ALA LYS PHE GLU
SEQRES 2 A 119 ARG GLN HIS MET ASP SER PRO ASP LEU GLY THR THR LEU
SEQRES 3 A 119 LEU GLU GLN TYR CYS HIS ARG THR THR ILE GLY ASN PHE
SEQRES 4 A 119 SER GLY PRO TYR THR TYR CYS ASN THR THR LEU ASP GLN
SEQRES 5 A 119 ILE GLY THR CYS TRP PRO GLN SER ALA PRO GLY ALA LEU
SEQRES 6 A 119 VAL GLU ARG PRO CYS PRO GLU TYR PHE ASN GLY ILE LYS
SEQRES 7 A 119 TYR ASN THR THR ARG ASN ALA TYR ARG GLU CYS LEU GLU
SEQRES 8 A 119 ASN GLY THR TRP ALA SER ARG VAL ASN TYR SER HIS CYS
SEQRES 9 A 119 GLU PRO ILE LEU ASP ASP PHE GLN ARG LYS TYR ASP LEU
SEQRES 10 A 119 HIS TYR
SHEET 1 A 2 THR A 63 LEU A 64 0
SHEET 2 A 2 CYS A 70 TRP A 71 -1 O TRP A 71 N THR A 63
SHEET 1 B 2 ALA A 78 PRO A 83 0
SHEET 2 B 2 ASN A 98 CYS A 103 -1 O ARG A 101 N VAL A 80
SSBOND 1 CYS A 45 CYS A 70 1555 1555 2.03
SSBOND 2 CYS A 60 CYS A 103 1555 1555 2.03
SSBOND 3 CYS A 84 CYS A 118 1555 1555 2.03
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
MODEL 1
(ATOM LINES ARE NOT SHOWN.)
END
