Header list of 1qgm.pdb file
Complete list - 3 20 Bytes
HEADER CYTOKINE 01-MAY-99 1QGM
TITLE THE SOLUTION STRUCTURE OF A 30 RESIDUE AMINO-TERMINAL DOMAIN OF THE
TITLE 2 CARP GRANULIN-1 PROTEIN.
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROTEIN (AMINO-TERMINAL CARP GRANULIN-1);
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: AMINO-TERMINAL FRAGMENT;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE
SOURCE 4 OF THE PEPTIDE IS NATURALLY FOUND IN CYPRINUS CARPIO (CARP).
KEYWDS BETA-HAIRPIN STACK, CONFORMATIONAL STABILITY, CYTOKINE
EXPDTA SOLUTION NMR
NUMMDL 15
AUTHOR W.F.VRANKEN,P.XU,F.NI
REVDAT 3 03-NOV-21 1QGM 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1QGM 1 VERSN
REVDAT 1 22-DEC-99 1QGM 0
JRNL AUTH W.F.VRANKEN,Z.G.CHEN,P.XU,S.JAMES,H.P.BENNETT,F.NI
JRNL TITL A 30-RESIDUE FRAGMENT OF THE CARP GRANULIN-1 PROTEIN FOLDS
JRNL TITL 2 INTO A STACK OF TWO BETA-HAIRPINS SIMILAR TO THAT FOUND IN
JRNL TITL 3 THE NATIVE PROTEIN.
JRNL REF J.PEPT.RES. V. 53 590 1999
JRNL REFN ISSN 1397-002X
JRNL PMID 10424355
JRNL DOI 10.1034/J.1399-3011.1999.00048.X
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: USING THE STANDARD SOFT REFINEMENT
REMARK 3 PROTOCOL OF X-PLOR.
REMARK 4
REMARK 4 1QGM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-MAY-99.
REMARK 100 THE DEPOSITION ID IS D_1000000979.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 288
REMARK 210 PH : 4.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 90% H2O/10% D2O, OR 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : TOCSY; COSY; NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE500; DRX-500 AVANCE800
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : DISTANCE GEOMETRY AND SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST VIOLATED RESTRAINT ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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 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 CYS A 4 -36.74 -161.05
REMARK 500 1 ASP A 5 -78.93 -93.91
REMARK 500 1 ALA A 6 -31.44 171.72
REMARK 500 1 PRO A 11 -161.10 -72.46
REMARK 500 2 ASP A 5 -70.01 -90.86
REMARK 500 2 ALA A 6 -46.55 175.17
REMARK 500 2 PRO A 11 -166.29 -72.96
REMARK 500 3 CYS A 4 22.90 -149.17
REMARK 500 3 ALA A 7 -46.33 -136.33
REMARK 500 3 PRO A 11 -166.60 -74.51
REMARK 500 4 ILE A 2 155.69 -45.38
REMARK 500 4 HIS A 3 -60.59 -130.64
REMARK 500 4 CYS A 4 -67.97 66.75
REMARK 500 4 ASP A 5 -138.83 -80.88
REMARK 500 4 ALA A 7 -65.54 -137.13
REMARK 500 4 PRO A 11 -161.18 -74.91
REMARK 500 5 ASP A 5 -90.27 -104.63
REMARK 500 5 ALA A 6 10.28 -146.66
REMARK 500 5 ALA A 7 -76.27 -140.11
REMARK 500 5 SER A 19 157.81 -46.18
REMARK 500 6 ASP A 5 -90.23 -150.29
REMARK 500 6 ALA A 6 -32.39 -176.09
REMARK 500 6 ALA A 7 -75.50 -105.38
REMARK 500 6 PRO A 11 -90.34 -74.70
REMARK 500 7 ASP A 5 -86.57 -85.14
REMARK 500 7 ALA A 6 -27.66 170.31
REMARK 500 7 ALA A 7 -81.51 -105.01
REMARK 500 7 THR A 8 155.40 -41.18
REMARK 500 8 ASP A 5 -59.75 -125.18
REMARK 500 8 ALA A 6 -25.37 170.60
REMARK 500 8 SER A 17 137.26 -170.31
REMARK 500 9 ASP A 5 -128.95 -167.65
REMARK 500 9 ALA A 6 11.54 -141.10
REMARK 500 9 ALA A 7 -85.10 -139.93
REMARK 500 10 ASP A 5 -88.77 54.75
REMARK 500 10 ALA A 6 -40.20 -171.90
REMARK 500 10 THR A 8 151.81 -43.77
REMARK 500 11 CYS A 4 -61.28 66.07
REMARK 500 11 ASP A 5 -56.44 -126.32
REMARK 500 11 ALA A 6 -32.48 176.34
REMARK 500 11 ALA A 7 -77.97 -100.07
REMARK 500 12 HIS A 3 -48.03 -136.70
REMARK 500 12 CYS A 4 -77.11 59.00
REMARK 500 12 ASP A 5 -135.67 -78.74
REMARK 500 12 ALA A 7 -84.72 -139.91
REMARK 500 12 THR A 8 100.26 -40.89
REMARK 500 12 PRO A 11 -159.59 -80.00
REMARK 500 13 ASP A 5 -101.12 -130.96
REMARK 500 13 ALA A 6 -43.15 -162.80
REMARK 500 13 PRO A 11 -166.08 -76.28
REMARK 500
REMARK 500 THIS ENTRY HAS 61 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1QGM A 1 30 UNP P81013 GRN1_CYPCA 1 30
SEQADV 1QGM SER A 17 UNP P81013 CYS 17 ENGINEERED MUTATION
SEQADV 1QGM SER A 27 UNP P81013 CYS 27 ENGINEERED MUTATION
SEQRES 1 A 30 VAL ILE HIS CYS ASP ALA ALA THR ILE CYS PRO ASP GLY
SEQRES 2 A 30 THR THR CYS SER LEU SER PRO TYR GLY VAL TRP TYR CYS
SEQRES 3 A 30 SER PRO PHE SER
SHEET 1 A 2 THR A 15 LEU A 18 0
SHEET 2 A 2 TRP A 24 SER A 27 -1 N SER A 27 O THR A 15
SSBOND 1 CYS A 4 CYS A 16 1555 1555 2.02
SSBOND 2 CYS A 10 CYS A 26 1555 1555 2.02
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 - 3 20 Bytes