Header list of 1y7j.pdb file
Complete list - t 20 2 Bytes
HEADER SIGNALING PROTEIN 08-DEC-04 1Y7J TITLE NMR STRUCTURE FAMILY OF HUMAN AGOUTI SIGNALLING PROTEIN (80-132: TITLE 2 Q115Y, S124Y) COMPND MOL_ID: 1; COMPND 2 MOLECULE: AGOUTI SIGNALING PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDIES 80-132; COMPND 5 SYNONYM: AGOUTI SWITCH PROTEIN; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SEQUENCE OCCURS NATURALLY IN HUMANS, GENES ASIP, SOURCE 4 AGTI, AGTIL, ASP KEYWDS MELANOCORTIN; INHIBITOR; CYSTINE KNOT; GPCR; ENDOGENOUS ANTAGONIST; KEYWDS 2 INVERSE AGONIST, SIGNALING PROTEIN EXPDTA SOLUTION NMR NUMMDL 21 MDLTYP MINIMIZED AVERAGE AUTHOR J.C.MCNULTY,P.J.JACKSON,D.A.THOMPSON,B.CHAI,I.GANTZ,G.S.BARSH, AUTHOR 2 P.E.DAWSON,G.L.MILLHAUSER REVDAT 3 20-OCT-21 1Y7J 1 REMARK SEQADV REVDAT 2 24-FEB-09 1Y7J 1 VERSN REVDAT 1 15-FEB-05 1Y7J 0 JRNL AUTH J.C.MCNULTY,P.J.JACKSON,D.A.THOMPSON,B.CHAI,I.GANTZ, JRNL AUTH 2 G.S.BARSH,P.E.DAWSON,G.L.MILLHAUSER JRNL TITL STRUCTURES OF THE AGOUTI SIGNALING PROTEIN. JRNL REF J.MOL.BIOL. V. 346 1059 2005 JRNL REFN ISSN 0022-2836 JRNL PMID 15701517 JRNL DOI 10.1016/J.JMB.2004.12.030 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.C.MCNULTY,D.A.THOMPSON,K.A.BOLIN,J.WILKEN,G.S.BARSH, REMARK 1 AUTH 2 G.L.MILLHAUSER REMARK 1 TITL HIGH-RESOLUTION NMR STRUCTURE OF THE CHEMICALLY-SYNTHESIZED REMARK 1 TITL 2 MELANOCORTIN RECEPTOR BINDING DOMAIN AGRP(87-132) OF THE REMARK 1 TITL 3 AGOUTI-RELATED PROTEIN REMARK 1 REF BIOCHEMISTRY V. 40 15520 2001 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH P.J.JACKSON,J.C.MCNULTY,Y.K.YANG,D.A.THOMPSON,B.CHAI, REMARK 1 AUTH 2 I.GANTZ,G.S.BARSH,G.L.MILLHAUSER REMARK 1 TITL DESIGN, PHARMACOLOGY, AND NMR STRUCTURE OF A MINIMIZED REMARK 1 TITL 2 CYSTINE KNOT WITH AGOUTI-RELATED PROTEIN ACTIVITY REMARK 1 REF BIOCHEMISTRY V. 41 7565 2002 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA 1.0.6, CYANA 1.0.6 REMARK 3 AUTHORS : GUENTERT, HERRMANN, MUMENTHALER, WUTHRICH (CYANA), REMARK 3 GUENTERT, HERRMANN, MUMENTHALER, WUTHRICH (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THIS STRUCTURE FAMILY REPRESENTS ONE OF REMARK 3 TWO MAJOR CONFORMERS PRESENT IN SOLUTION. THE TWO CONFORMERS REMARK 3 ARISE FROM THE CIS-TRANS PROLINE ISOMERIZATION OF THE ALA104- REMARK 3 PRO105 PEPTIDE BOND. REMARK 4 REMARK 4 1Y7J COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-DEC-04. REMARK 100 THE DEPOSITION ID IS D_1000031214. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288; 288 REMARK 210 PH : 5.0; 4.0 REMARK 210 IONIC STRENGTH : 100 MM D3-ACETIC ACID/SODIUM REMARK 210 ACETATE; 100 MM D3-ACETIC ACID/ REMARK 210 SODIUM ACETATE REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM ASIP(80-132: Q115Y, S124Y), REMARK 210 100 MM D3-ACETIC ACID/D3-SODIUM REMARK 210 ACETATE, 90% H2O 10% D2O; 1 MM REMARK 210 ASIP(80-132: Q115Y, S124Y), 100 REMARK 210 MM D3-ACETIC ACID/D3-SODIUM REMARK 210 ACETATE, 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY; 2D NOESY; DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 2.3, VNMR 6.1C REMARK 210 METHOD USED : SIMULATED ANNEALING / TORSION REMARK 210 ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1000 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 21 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR TECHNIQUES, IN CONJUNCTION WITH A SEMI-AUTOMATED REMARK 210 ASSIGNMENT PROTOCOL. 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. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 MODELS 1-21 REMARK 465 RES C SSSEQI REMARK 465 LYS A 80 REMARK 465 LYS A 81 REMARK 465 VAL A 82 REMARK 465 VAL A 83 REMARK 465 ARG A 84 REMARK 465 PRO A 85 REMARK 465 ARG A 86 REMARK 465 THR A 87 REMARK 465 PRO A 88 REMARK 465 LEU A 89 REMARK 465 SER A 90 REMARK 465 ALA A 91 REMARK 465 PRO A 92 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 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 ALA A 95 -100.17 -85.34 REMARK 500 1 THR A 96 40.04 -164.60 REMARK 500 1 ARG A 97 41.64 -145.07 REMARK 500 1 ALA A 106 -161.20 83.28 REMARK 500 1 CYS A 108 -72.99 67.99 REMARK 500 1 SER A 121 17.51 57.62 REMARK 500 1 ARG A 126 126.74 -177.14 REMARK 500 1 SER A 129 132.29 -179.63 REMARK 500 2 ARG A 97 -45.39 -145.23 REMARK 500 2 PHE A 118 175.75 -53.41 REMARK 500 2 ARG A 120 -69.05 -155.67 REMARK 500 2 SER A 121 -149.49 -136.75 REMARK 500 2 ALA A 122 51.92 78.40 REMARK 500 2 ARG A 126 156.50 170.38 REMARK 500 2 SER A 129 90.01 38.97 REMARK 500 2 LEU A 130 -159.59 71.47 REMARK 500 3 ALA A 106 93.11 48.62 REMARK 500 3 CYS A 107 125.30 179.78 REMARK 500 3 ASP A 109 112.34 168.39 REMARK 500 3 CYS A 111 -24.22 157.55 REMARK 500 3 ALA A 112 108.30 -45.07 REMARK 500 3 PHE A 119 30.58 -93.55 REMARK 500 3 ARG A 120 -67.84 -155.61 REMARK 500 3 SER A 121 -149.33 -136.69 REMARK 500 3 ALA A 122 56.77 78.44 REMARK 500 3 LEU A 128 83.25 -69.98 REMARK 500 3 SER A 129 -43.67 -163.53 REMARK 500 3 LEU A 130 -173.47 74.59 REMARK 500 4 ARG A 97 -45.50 -145.36 REMARK 500 4 ALA A 106 -60.05 -162.35 REMARK 500 4 ASP A 109 108.01 -52.33 REMARK 500 4 PHE A 119 32.49 -93.98 REMARK 500 4 ARG A 120 -72.20 -156.15 REMARK 500 4 SER A 121 -146.55 -137.92 REMARK 500 4 ALA A 122 59.23 80.52 REMARK 500 4 LEU A 130 158.82 78.30 REMARK 500 4 ASN A 131 -59.06 160.63 REMARK 500 5 ALA A 95 -87.94 -85.11 REMARK 500 5 THR A 96 55.62 -165.58 REMARK 500 5 ARG A 97 -45.15 -145.07 REMARK 500 5 ALA A 106 46.67 -154.54 REMARK 500 5 CYS A 108 -73.89 -63.67 REMARK 500 5 PHE A 118 164.66 -41.84 REMARK 500 5 PHE A 119 35.98 -93.02 REMARK 500 5 ARG A 120 -71.03 -155.70 REMARK 500 5 SER A 121 -148.86 -136.94 REMARK 500 5 ALA A 122 60.27 77.35 REMARK 500 5 SER A 129 -160.20 68.83 REMARK 500 5 LEU A 130 -159.60 -161.60 REMARK 500 5 ASN A 131 -60.14 72.26 REMARK 500 REMARK 500 THIS ENTRY HAS 228 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1Y7K RELATED DB: PDB REMARK 900 RELATED ID: 1HYK RELATED DB: PDB REMARK 900 NMR STRUCTURE OF HUMAN AGOUTI-RELATED PROTEIN (87-132) REMARK 900 RELATED ID: 1MR0 RELATED DB: PDB REMARK 900 NMR STRUCTURE OF HUMAN AGOUTI-RELATED PROTEIN (87-120: C105A) DBREF 1Y7J A 80 132 UNP P42127 ASIP_HUMAN 80 132 SEQADV 1Y7J TYR A 115 UNP P42127 GLN 115 ENGINEERED MUTATION SEQADV 1Y7J TYR A 124 UNP P42127 SER 124 ENGINEERED MUTATION SEQRES 1 A 53 LYS LYS VAL VAL ARG PRO ARG THR PRO LEU SER ALA PRO SEQRES 2 A 53 CYS VAL ALA THR ARG ASN SER CYS LYS PRO PRO ALA PRO SEQRES 3 A 53 ALA CYS CYS ASP PRO CYS ALA SER CYS TYR CYS ARG PHE SEQRES 4 A 53 PHE ARG SER ALA CYS TYR CYS ARG VAL LEU SER LEU ASN SEQRES 5 A 53 CYS SHEET 1 A 2 SER A 113 CYS A 116 0 SHEET 2 A 2 CYS A 123 ARG A 126 -1 O TYR A 124 N TYR A 115 SSBOND 1 CYS A 93 CYS A 108 1555 1555 2.02 SSBOND 2 CYS A 100 CYS A 114 1555 1555 1.99 SSBOND 3 CYS A 107 CYS A 125 1555 1555 2.00 SSBOND 4 CYS A 111 CYS A 132 1555 1555 2.09 SSBOND 5 CYS A 116 CYS A 123 1555 1555 1.99 CISPEP 1 PRO A 102 PRO A 103 1 -0.15 CISPEP 2 ALA A 104 PRO A 105 1 -0.04 CISPEP 3 PRO A 102 PRO A 103 2 0.06 CISPEP 4 ALA A 104 PRO A 105 2 -0.01 CISPEP 5 PRO A 102 PRO A 103 3 -0.01 CISPEP 6 ALA A 104 PRO A 105 3 0.01 CISPEP 7 PRO A 102 PRO A 103 4 -0.01 CISPEP 8 ALA A 104 PRO A 105 4 0.00 CISPEP 9 PRO A 102 PRO A 103 5 0.04 CISPEP 10 ALA A 104 PRO A 105 5 0.03 CISPEP 11 PRO A 102 PRO A 103 6 -0.01 CISPEP 12 ALA A 104 PRO A 105 6 -0.03 CISPEP 13 PRO A 102 PRO A 103 7 0.00 CISPEP 14 ALA A 104 PRO A 105 7 0.03 CISPEP 15 PRO A 102 PRO A 103 8 -0.03 CISPEP 16 ALA A 104 PRO A 105 8 0.02 CISPEP 17 PRO A 102 PRO A 103 9 -0.03 CISPEP 18 ALA A 104 PRO A 105 9 0.05 CISPEP 19 PRO A 102 PRO A 103 10 0.01 CISPEP 20 ALA A 104 PRO A 105 10 -0.09 CISPEP 21 PRO A 102 PRO A 103 11 0.04 CISPEP 22 ALA A 104 PRO A 105 11 0.05 CISPEP 23 PRO A 102 PRO A 103 12 -0.03 CISPEP 24 ALA A 104 PRO A 105 12 -0.06 CISPEP 25 PRO A 102 PRO A 103 13 -0.02 CISPEP 26 ALA A 104 PRO A 105 13 0.08 CISPEP 27 PRO A 102 PRO A 103 14 -0.01 CISPEP 28 ALA A 104 PRO A 105 14 -0.03 CISPEP 29 PRO A 102 PRO A 103 15 0.02 CISPEP 30 ALA A 104 PRO A 105 15 0.05 CISPEP 31 PRO A 102 PRO A 103 16 0.06 CISPEP 32 ALA A 104 PRO A 105 16 -0.01 CISPEP 33 PRO A 102 PRO A 103 17 0.08 CISPEP 34 ALA A 104 PRO A 105 17 -0.01 CISPEP 35 PRO A 102 PRO A 103 18 0.04 CISPEP 36 ALA A 104 PRO A 105 18 0.02 CISPEP 37 PRO A 102 PRO A 103 19 0.07 CISPEP 38 ALA A 104 PRO A 105 19 -0.05 CISPEP 39 PRO A 102 PRO A 103 20 -0.03 CISPEP 40 ALA A 104 PRO A 105 20 0.03 CISPEP 41 PRO A 102 PRO A 103 21 0.05 CISPEP 42 ALA A 104 PRO A 105 21 0.01 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
Complete list - t 20 2 Bytes