Header list of 2crm.pdb file
Complete list - r 9 2 Bytes
HEADER CELL ADHESION 20-MAY-05 2CRM
TITLE SOLUTION STRUCTURE OF THE FORTH FNIII DOMAIN OF HUMAN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: FIBRONECTIN TYPE-III DOMAIN CONTAINING PROTEIN 3A;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: FN3;
COMPND 5 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: FNDC3, KIAA0970;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040628-02;
SOURCE 8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS
KEYWDS FIBRONECTIN TYPE III DOMAIN, STRUCTURAL GENOMICS, NPPSFA, NATIONAL
KEYWDS 2 PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN
KEYWDS 3 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, CELL ADHESION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.IZUMI,F.HAYASHI,M.YOSHIDA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2CRM 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2CRM 1 VERSN
REVDAT 1 20-NOV-05 2CRM 0
JRNL AUTH K.IZUMI,F.HAYASHI,M.YOSHIDA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE FORTH FNIII DOMAIN OF HUMAN
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DELTA NMR 4.3, CYANA 2.0.17
REMARK 3 AUTHORS : JEOL (DELTA NMR), GUNTERT,P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2CRM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 28-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024547.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.79MM 13C, 15N-LABELED PROTEIN;
REMARK 210 20MM D-TRIS-HCL; 100MM NACL; 1MM
REMARK 210 DTT; 0.02% NAN3; 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ
REMARK 210 SPECTROMETER MODEL : ECA
REMARK 210 SPECTROMETER MANUFACTURER : JEOL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20031121, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.9296, CYANA 2.0.17
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION, STRUCTURES WITH
REMARK 210 THE LOWEST ENERGY, STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS
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 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 THR A 13 51.03 34.02
REMARK 500 1 SER A 34 107.39 -173.69
REMARK 500 1 ILE A 50 142.58 -34.62
REMARK 500 1 ASN A 64 99.07 -62.38
REMARK 500 1 THR A 74 122.51 -37.69
REMARK 500 1 ARG A 75 47.35 -81.50
REMARK 500 1 ASP A 97 -38.37 -34.60
REMARK 500 1 ALA A 102 145.63 -35.77
REMARK 500 1 GLU A 105 163.89 -44.94
REMARK 500 1 SER A 118 -53.87 -125.56
REMARK 500 2 SER A 2 117.26 -169.89
REMARK 500 2 SER A 6 -70.97 -130.90
REMARK 500 2 PRO A 15 -175.36 -69.84
REMARK 500 2 PRO A 18 -163.86 -69.71
REMARK 500 2 PRO A 21 -168.17 -69.74
REMARK 500 2 SER A 32 -28.85 -36.99
REMARK 500 2 HIS A 33 -69.70 -95.27
REMARK 500 2 ASP A 44 41.57 -97.54
REMARK 500 2 ILE A 50 150.45 -37.58
REMARK 500 2 ASN A 64 47.10 -100.36
REMARK 500 2 ARG A 75 46.35 -94.73
REMARK 500 2 GLU A 76 140.97 -173.43
REMARK 500 2 SER A 104 178.07 -52.48
REMARK 500 2 SER A 118 130.72 -34.58
REMARK 500 3 PRO A 15 -170.51 -69.73
REMARK 500 3 SER A 34 119.78 -175.22
REMARK 500 3 ASN A 64 43.95 -98.85
REMARK 500 3 THR A 74 135.48 -33.57
REMARK 500 3 ASP A 97 143.49 -35.85
REMARK 500 3 SER A 104 171.35 -59.84
REMARK 500 3 GLU A 105 170.33 -50.80
REMARK 500 4 THR A 12 54.22 -106.29
REMARK 500 4 PRO A 15 -168.17 -69.73
REMARK 500 4 PRO A 21 -167.06 -69.67
REMARK 500 4 SER A 32 -36.80 -33.08
REMARK 500 4 HIS A 33 -71.09 -85.86
REMARK 500 4 ASP A 44 119.54 -174.38
REMARK 500 4 ASN A 45 44.84 -88.41
REMARK 500 4 ILE A 50 146.15 -35.87
REMARK 500 4 THR A 74 140.63 -36.64
REMARK 500 4 ARG A 75 40.85 -96.07
REMARK 500 4 GLU A 76 147.11 -173.67
REMARK 500 4 GLU A 105 154.72 -45.36
REMARK 500 4 PRO A 117 2.82 -69.79
REMARK 500 4 SER A 119 106.68 -51.86
REMARK 500 5 SER A 2 41.38 -108.49
REMARK 500 5 PRO A 15 -174.06 -69.70
REMARK 500 5 SER A 34 116.88 -175.06
REMARK 500 5 ALA A 73 -66.40 -99.07
REMARK 500 5 THR A 74 140.33 -33.99
REMARK 500
REMARK 500 THIS ENTRY HAS 236 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002100947.5 RELATED DB: TARGETDB
DBREF 2CRM A 8 114 UNP Q9Y2H6 FNDC3_HUMAN 490 596
SEQADV 2CRM GLY A 1 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 2CRM SER A 2 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 2CRM SER A 3 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 2CRM GLY A 4 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 2CRM SER A 5 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 2CRM SER A 6 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 2CRM GLY A 7 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 2CRM SER A 115 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 2CRM GLY A 116 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 2CRM PRO A 117 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 2CRM SER A 118 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 2CRM SER A 119 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 2CRM GLY A 120 UNP Q9Y2H6 CLONING ARTIFACT
SEQRES 1 A 120 GLY SER SER GLY SER SER GLY VAL VAL GLU PHE THR THR
SEQRES 2 A 120 CYS PRO ASP LYS PRO GLY ILE PRO VAL LYS PRO SER VAL
SEQRES 3 A 120 LYS GLY LYS ILE HIS SER HIS SER PHE LYS ILE THR TRP
SEQRES 4 A 120 ASP PRO PRO LYS ASP ASN GLY GLY ALA THR ILE ASN LYS
SEQRES 5 A 120 TYR VAL VAL GLU MET ALA GLU GLY SER ASN GLY ASN LYS
SEQRES 6 A 120 TRP GLU MET ILE TYR SER GLY ALA THR ARG GLU HIS LEU
SEQRES 7 A 120 CYS ASP ARG LEU ASN PRO GLY CYS PHE TYR ARG LEU ARG
SEQRES 8 A 120 VAL TYR CYS ILE SER ASP GLY GLY GLN SER ALA VAL SER
SEQRES 9 A 120 GLU SER LEU LEU VAL GLN THR PRO ALA VAL SER GLY PRO
SEQRES 10 A 120 SER SER GLY
SHEET 1 A 3 SER A 25 HIS A 31 0
SHEET 2 A 3 SER A 34 THR A 38 -1 O LYS A 36 N LYS A 27
SHEET 3 A 3 GLU A 76 CYS A 79 -1 O CYS A 79 N PHE A 35
SHEET 1 B 4 GLU A 67 TYR A 70 0
SHEET 2 B 4 LYS A 52 GLU A 59 -1 N VAL A 55 O ILE A 69
SHEET 3 B 4 TYR A 88 SER A 96 -1 O ARG A 89 N ALA A 58
SHEET 4 B 4 GLY A 99 GLN A 100 -1 O GLY A 99 N SER A 96
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 - r 9 2 Bytes