Header list of 2dgy.pdb file
Complete list - r 9 2 Bytes
HEADER TRANSLATION 16-MAR-06 2DGY
TITLE SOLUTION STRUCTURE OF THE EUKARYOTIC INITIATION FACTOR 1A IN MGC11102
TITLE 2 PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MGC11102 PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: EUKARYOTIC INITIATION FACTOR 1A;
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: MGC11102;
SOURCE 6 EXPRESSION_SYSTEM: CELL FREE SYNTHESIS;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: P050822-23;
SOURCE 9 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS EIF-1A, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN
KEYWDS 2 STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL
KEYWDS 3 GENOMICS/PROTEOMICS INITIATIVE, RSGI, TRANSLATION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.ABE,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,M.SHIROUZU,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2DGY 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2DGY 1 VERSN
REVDAT 1 16-SEP-06 2DGY 0
JRNL AUTH C.ABE,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,M.SHIROUZU,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE EUKARYOTIC INITIATION FACTOR 1A IN
JRNL TITL 2 MGC11102 PROTEIN
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.5, CYANA 2.0
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2DGY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 20-MAR-06.
REMARK 100 THE DEPOSITION ID IS D_1000025406.
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 : 100MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 20MM D-TRIS-HCL(PH7.0), 100MM
REMARK 210 NACL, 1MM D-DTT, 0.02% NAN3, 90%
REMARK 210 H2O, 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 : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20030801, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.932, CYANA 2.0
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 RESTRAINTED MOLECULAR 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 ILE A 19 102.63 -49.40
REMARK 500 1 SER A 22 -176.42 -68.28
REMARK 500 1 LEU A 31 -50.32 -126.54
REMARK 500 1 ASN A 36 -174.97 -52.17
REMARK 500 1 ASN A 37 40.65 -81.70
REMARK 500 1 ARG A 58 79.55 -58.40
REMARK 500 1 GLU A 75 -177.23 -64.46
REMARK 500 1 GLU A 76 91.17 -57.79
REMARK 500 1 LYS A 90 -39.32 -36.84
REMARK 500 1 PHE A 101 -40.75 -130.58
REMARK 500 1 GLU A 108 32.84 -84.49
REMARK 500 1 VAL A 109 -52.23 -120.89
REMARK 500 2 LEU A 31 -60.90 -127.55
REMARK 500 2 ASN A 36 -174.68 -51.83
REMARK 500 2 ASN A 37 40.63 -81.29
REMARK 500 2 PRO A 54 158.35 -47.94
REMARK 500 2 TYR A 57 32.43 -86.61
REMARK 500 2 ARG A 58 79.87 -66.32
REMARK 500 2 LYS A 59 149.49 -175.12
REMARK 500 2 ASN A 60 88.07 -66.90
REMARK 500 2 GLU A 76 111.76 -38.89
REMARK 500 2 GLU A 78 -174.75 -68.77
REMARK 500 2 ALA A 105 -28.91 -38.76
REMARK 500 2 HIS A 113 144.13 -39.86
REMARK 500 3 PRO A 34 0.37 -69.79
REMARK 500 3 ASN A 36 -174.61 -53.49
REMARK 500 3 ASN A 37 40.80 -81.18
REMARK 500 3 PRO A 54 160.09 -47.96
REMARK 500 3 TYR A 57 32.96 -87.98
REMARK 500 3 ARG A 58 77.50 -66.59
REMARK 500 3 ASN A 60 78.01 -100.07
REMARK 500 3 GLU A 76 116.00 -39.02
REMARK 500 3 GLU A 78 -174.98 -59.08
REMARK 500 3 ALA A 110 41.00 -95.52
REMARK 500 3 GLU A 111 -66.42 -97.92
REMARK 500 3 LYS A 112 46.15 -106.85
REMARK 500 4 SER A 11 130.12 -174.32
REMARK 500 4 LEU A 31 -55.28 -125.75
REMARK 500 4 ASN A 36 -174.31 -60.49
REMARK 500 4 ASN A 37 40.79 -80.89
REMARK 500 4 PRO A 54 167.56 -47.95
REMARK 500 4 ARG A 58 79.13 -58.34
REMARK 500 4 LYS A 59 134.73 -175.07
REMARK 500 4 ASN A 60 92.29 -56.13
REMARK 500 4 GLU A 78 -174.62 -62.83
REMARK 500 4 LEU A 96 -39.21 -38.28
REMARK 500 4 PRO A 103 -165.09 -69.84
REMARK 500 4 ALA A 110 43.98 -109.52
REMARK 500 4 LYS A 112 44.75 -99.38
REMARK 500 4 SER A 119 173.95 -48.95
REMARK 500
REMARK 500 THIS ENTRY HAS 253 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSI002005635.1 RELATED DB: TARGETDB
DBREF 2DGY A 17 114 UNP Q9BSC1 Q9BSC1_HUMAN 16 114
SEQADV 2DGY GLY A 10 UNP Q9BSC1 CLONING ARTIFACT
SEQADV 2DGY SER A 11 UNP Q9BSC1 CLONING ARTIFACT
SEQADV 2DGY SER A 12 UNP Q9BSC1 CLONING ARTIFACT
SEQADV 2DGY GLY A 13 UNP Q9BSC1 CLONING ARTIFACT
SEQADV 2DGY SER A 14 UNP Q9BSC1 CLONING ARTIFACT
SEQADV 2DGY SER A 15 UNP Q9BSC1 CLONING ARTIFACT
SEQADV 2DGY GLY A 16 UNP Q9BSC1 CLONING ARTIFACT
SEQADV 2DGY SER A 115 UNP Q9BSC1 CLONING ARTIFACT
SEQADV 2DGY GLY A 116 UNP Q9BSC1 CLONING ARTIFACT
SEQADV 2DGY PRO A 117 UNP Q9BSC1 CLONING ARTIFACT
SEQADV 2DGY SER A 118 UNP Q9BSC1 CLONING ARTIFACT
SEQADV 2DGY SER A 119 UNP Q9BSC1 CLONING ARTIFACT
SEQADV 2DGY GLY A 120 UNP Q9BSC1 CLONING ARTIFACT
SEQRES 1 A 111 GLY SER SER GLY SER SER GLY GLU HIS ILE VAL PRO SER
SEQRES 2 A 111 ASN GLN GLN GLN ILE VAL ARG VAL LEU ARG THR PRO GLY
SEQRES 3 A 111 ASN ASN LEU HIS GLU VAL GLU THR ALA GLN GLY GLN ARG
SEQRES 4 A 111 PHE LEU VAL SER MET PRO SER LYS TYR ARG LYS ASN ILE
SEQRES 5 A 111 TRP ILE LYS ARG GLY ASP PHE LEU ILE VAL ASP PRO ILE
SEQRES 6 A 111 GLU GLU GLY GLU LYS VAL LYS ALA GLU ILE SER PHE VAL
SEQRES 7 A 111 LEU CYS LYS ASP HIS VAL ARG SER LEU GLN LYS GLU GLY
SEQRES 8 A 111 PHE TRP PRO GLU ALA PHE SER GLU VAL ALA GLU LYS HIS
SEQRES 9 A 111 ASN SER GLY PRO SER SER GLY
HELIX 1 1 CYS A 89 GLY A 100 1 12
HELIX 2 2 PRO A 103 GLU A 111 1 9
SHEET 1 A 6 GLN A 26 ARG A 32 0
SHEET 2 A 6 LEU A 38 GLU A 42 -1 O GLU A 40 N LEU A 31
SHEET 3 A 6 ARG A 48 SER A 52 -1 O PHE A 49 N VAL A 41
SHEET 4 A 6 ALA A 82 VAL A 87 1 O ALA A 82 N SER A 52
SHEET 5 A 6 PHE A 68 PRO A 73 -1 N ILE A 70 O SER A 85
SHEET 6 A 6 GLN A 26 ARG A 32 -1 N VAL A 28 O LEU A 69
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