Header list of 1b64.pdb file
Complete list - b 16 2 Bytes
HEADER GUANINE NUCLEOTIDE EXCHANGE FACTOR 20-JAN-99 1B64
TITLE SOLUTION STRUCTURE OF THE GUANINE NUCLEOTIDE EXCHANGE FACTOR DOMAIN
TITLE 2 FROM HUMAN ELONGATION FACTOR-ONE BETA, NMR, 20 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ELONGATION FACTOR 1-BETA;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: GUANINE EXCHANGE FACTOR DOMAIN;
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 CELL_LINE: BL21;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET11A
KEYWDS GUANINE NUCLEOTIDE EXCHANGE FACTOR, G-PROTEIN, TRANSLATION ELONGATION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.M.J.PEREZ,G.SIEGAL,J.KRIEK,K.HARD,J.DIJK,G.W.CANTERS,W.MOLLER
REVDAT 3 16-FEB-22 1B64 1 REMARK
REVDAT 2 24-FEB-09 1B64 1 VERSN
REVDAT 1 18-MAY-99 1B64 0
JRNL AUTH J.M.PEREZ,G.SIEGAL,J.KRIEK,K.HARD,J.DIJK,G.W.CANTERS,
JRNL AUTH 2 W.MOLLER
JRNL TITL THE SOLUTION STRUCTURE OF THE GUANINE NUCLEOTIDE EXCHANGE
JRNL TITL 2 DOMAIN OF HUMAN ELONGATION FACTOR 1BETA REVEALS A STRIKING
JRNL TITL 3 RESEMBLANCE TO THAT OF EF-TS FROM ESCHERICHIA COLI.
JRNL REF STRUCTURE FOLD.DES. V. 7 217 1999
JRNL REFN ISSN 0969-2126
JRNL PMID 10368288
JRNL DOI 10.1016/S0969-2126(99)80027-6
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH J.M.PEREZ,J.KRIEK,J.DIJK,W.MOLLER,G.SIEGAL,K.HARD,
REMARK 1 AUTH 2 A.P.KALVERDA,G.W.CANTERS
REMARK 1 TITL 1H, 15N AND 13C CHEMICAL SHIFT ASSIGNMENT OF THE GUANINE
REMARK 1 TITL 2 NUCLEOTIDE EXCHANGE DOMAIN OF HUMAN ELONGATION FACTOR-ONE
REMARK 1 TITL 3 BETA
REMARK 1 REF J.BIOMOL.NMR V. 12 467 1998
REMARK 1 REFN ISSN 0925-2738
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DYANA
REMARK 3 AUTHORS : GUNTERT,WUTHRICH
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE
REMARK 3 JRNL CITATION ABOVE.
REMARK 4
REMARK 4 1B64 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000171496.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.9
REMARK 210 IONIC STRENGTH : 100 MM
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 95% H2O AND 5% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : VARIOUS
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : DMX600
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : DYANA V.1.4 V.1.4
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR
REMARK 210 SPECTROSCOPY OF 13C, 15N-LABELED EF-1BETA.
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 O GLU A 70 HG1 THR A 74 1.49
REMARK 500 O THR A 66 H GLU A 70 1.49
REMARK 500 O LEU A 69 H ILE A 73 1.50
REMARK 500 O MET A 21 H GLU A 25 1.53
REMARK 500 O LYS A 23 H CYS A 27 1.53
REMARK 500 O LYS A 13 H GLN A 81 1.54
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 LEU A 2 -83.18 -48.96
REMARK 500 1 ALA A 4 61.71 38.99
REMARK 500 1 THR A 19 102.54 -52.74
REMARK 500 1 ASP A 20 102.24 -53.17
REMARK 500 1 TYR A 48 164.84 57.49
REMARK 500 1 LEU A 53 66.91 -102.45
REMARK 500 1 ASP A 61 -79.61 62.77
REMARK 500 1 ASP A 62 26.67 -142.07
REMARK 500 1 TYR A 79 -45.48 -151.19
REMARK 500 1 SER A 82 112.97 -178.69
REMARK 500 1 ALA A 87 173.62 171.86
REMARK 500 2 LEU A 2 75.64 -107.61
REMARK 500 2 ALA A 4 83.37 70.10
REMARK 500 2 ASP A 11 89.32 -150.12
REMARK 500 2 ASP A 16 -174.28 168.09
REMARK 500 2 THR A 19 88.22 -67.23
REMARK 500 2 VAL A 46 -74.28 -111.62
REMARK 500 2 TYR A 48 -161.55 53.50
REMARK 500 2 THR A 66 27.54 -162.90
REMARK 500 2 TYR A 79 -44.03 -151.80
REMARK 500 2 SER A 82 115.65 -179.93
REMARK 500 2 ALA A 87 167.78 176.01
REMARK 500 3 ALA A 4 123.24 84.50
REMARK 500 3 ASP A 16 -171.85 -175.16
REMARK 500 3 THR A 19 101.21 -50.56
REMARK 500 3 ASP A 20 96.94 -52.74
REMARK 500 3 LEU A 53 71.44 -103.28
REMARK 500 3 TYR A 79 -44.91 -147.71
REMARK 500 3 SER A 82 114.46 173.43
REMARK 500 3 ALA A 87 171.69 177.51
REMARK 500 4 ALA A 4 111.12 76.06
REMARK 500 4 ASP A 16 -170.61 -174.88
REMARK 500 4 THR A 19 98.27 -60.75
REMARK 500 4 ASP A 20 104.32 -40.70
REMARK 500 4 SER A 40 141.96 -170.80
REMARK 500 4 VAL A 46 -62.17 -91.18
REMARK 500 4 TYR A 48 -38.22 171.10
REMARK 500 4 ASP A 62 26.08 -146.51
REMARK 500 4 LYS A 63 -70.04 -96.05
REMARK 500 4 ALA A 75 -31.99 -39.53
REMARK 500 4 TYR A 79 -44.10 -145.84
REMARK 500 4 SER A 82 115.27 170.09
REMARK 500 4 ALA A 87 170.41 179.84
REMARK 500 5 ALA A 4 84.24 80.80
REMARK 500 5 ASP A 16 -174.39 178.64
REMARK 500 5 ASP A 20 154.82 -44.90
REMARK 500 5 ALA A 22 -70.64 -60.35
REMARK 500 5 VAL A 46 -155.89 -90.41
REMARK 500 5 TYR A 48 -33.84 175.94
REMARK 500 5 LEU A 53 68.45 -115.69
REMARK 500
REMARK 500 THIS ENTRY HAS 233 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: GEF
REMARK 800 EVIDENCE_CODE: UNKNOWN
REMARK 800 SITE_DESCRIPTION: INVOLVED WITH GEF REACTION ON EF-1APHA.
DBREF 1B64 A 2 91 UNP P24534 EF1B_HUMAN 135 224
SEQRES 1 A 91 MET LEU VAL ALA LYS SER SER ILE LEU LEU ASP VAL LYS
SEQRES 2 A 91 PRO TRP ASP ASP GLU THR ASP MET ALA LYS LEU GLU GLU
SEQRES 3 A 91 CYS VAL ARG SER ILE GLN ALA ASP GLY LEU VAL TRP GLY
SEQRES 4 A 91 SER SER LYS LEU VAL PRO VAL GLY TYR GLY ILE LYS LYS
SEQRES 5 A 91 LEU GLN ILE GLN CYS VAL VAL GLU ASP ASP LYS VAL GLY
SEQRES 6 A 91 THR ASP MET LEU GLU GLU GLN ILE THR ALA PHE GLU ASP
SEQRES 7 A 91 TYR VAL GLN SER MET ASP VAL ALA ALA PHE ASN LYS ILE
HELIX 1 H1 ALA A 22 SER A 30 1 9
HELIX 2 H2 THR A 66 THR A 74 1 9
SHEET 1 S1 4 VAL A 37 PRO A 45 0
SHEET 2 S1 4 ILE A 50 GLN A 56 -1
SHEET 3 S1 4 LYS A 5 PRO A 14 -1
SHEET 4 S1 4 VAL A 80 LYS A 90 -1
SITE 1 GEF 1 TYR A 48
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 - b 16 2 Bytes