Header list of 1enw.pdb file
Complete list - c 21 2 Bytes
HEADER TRANSCRIPTION 21-MAR-00 1ENW
TITLE ELONGATION FACTOR TFIIS DOMAIN II
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TRANSCRIPTION ELONGATION FACTOR S-II;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: DOMAIN II (RESIDUES 131-240);
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
SOURCE 4 ORGANISM_TAXID: 4932;
SOURCE 5 EXPRESSION_SYSTEM: BACTERIA;
SOURCE 6 EXPRESSION_SYSTEM_COMMON: EUBACTERIA;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 2
KEYWDS HELIX-BUNDLE, TRANSCRIPTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR P.E.MORIN,D.E.AWREY,A.M.EDWARDS,C.H.ARROWSMITH
REVDAT 5 21-DEC-22 1ENW 1 SEQADV
REVDAT 4 16-FEB-22 1ENW 1 REMARK
REVDAT 3 24-FEB-09 1ENW 1 VERSN
REVDAT 2 10-MAY-00 1ENW 1 EXPDTA
REVDAT 1 12-APR-00 1ENW 0
JRNL AUTH P.E.MORIN,D.E.AWREY,A.M.EDWARDS,C.H.ARROWSMITH
JRNL TITL ELONGATION FACTOR TFIIS CONTAINS THREE STRUCTURAL DOMAINS:
JRNL TITL 2 SOLUTION STRUCTURE OF DOMAIN II.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 93 10604 1996
JRNL REFN ISSN 0027-8424
JRNL PMID 8855225
JRNL DOI 10.1073/PNAS.93.20.10604
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE 1995, X-PLOR 3.851
REMARK 3 AUTHORS : DELAGLIO (NMRPIPE), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1ENW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-MAR-00.
REMARK 100 THE DEPOSITION ID IS D_1000010750.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 270
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 50 MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2 MM TFIIS; 5MM PHOSPHATE
REMARK 210 BUFFER; 90% H2O, 10% D2O; 2 MM
REMARK 210 TFIIS; 5MM PHOSPHATE BUFFER;
REMARK 210 99.996% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR 3.851
REMARK 210 METHOD USED : SIMULATED ANNEALING MOLECULAR
REMARK 210 DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
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 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (RES=RESIDUE NAME;
REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 470 MODELS 1-20
REMARK 470 RES CSSEQI ATOMS
REMARK 470 PRO A 114 O
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 H ASN A 60 H ASN A 61 1.31
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 1 HIS A 3 CG HIS A 3 ND1 -0.120
REMARK 500 1 HIS A 19 CG HIS A 19 ND1 -0.119
REMARK 500 1 HIS A 20 CG HIS A 20 ND1 -0.122
REMARK 500 1 HIS A 40 CG HIS A 40 ND1 -0.119
REMARK 500 1 HIS A 47 CG HIS A 47 ND1 -0.120
REMARK 500 1 HIS A 90 CG HIS A 90 ND1 -0.119
REMARK 500 2 HIS A 3 CG HIS A 3 ND1 -0.120
REMARK 500 2 HIS A 19 CG HIS A 19 ND1 -0.120
REMARK 500 2 HIS A 20 CG HIS A 20 ND1 -0.121
REMARK 500 2 HIS A 40 CG HIS A 40 ND1 -0.120
REMARK 500 2 HIS A 47 CG HIS A 47 ND1 -0.120
REMARK 500 2 HIS A 90 CG HIS A 90 ND1 -0.121
REMARK 500 3 HIS A 3 CG HIS A 3 ND1 -0.121
REMARK 500 3 HIS A 19 CG HIS A 19 ND1 -0.120
REMARK 500 3 HIS A 20 CG HIS A 20 ND1 -0.122
REMARK 500 3 HIS A 40 CG HIS A 40 ND1 -0.121
REMARK 500 3 HIS A 47 CG HIS A 47 ND1 -0.120
REMARK 500 3 HIS A 90 CG HIS A 90 ND1 -0.121
REMARK 500 4 HIS A 3 CG HIS A 3 ND1 -0.122
REMARK 500 4 HIS A 19 CG HIS A 19 ND1 -0.122
REMARK 500 4 HIS A 20 CG HIS A 20 ND1 -0.119
REMARK 500 4 HIS A 40 CG HIS A 40 ND1 -0.121
REMARK 500 4 HIS A 47 CG HIS A 47 ND1 -0.120
REMARK 500 4 HIS A 90 CG HIS A 90 ND1 -0.121
REMARK 500 5 HIS A 3 CG HIS A 3 ND1 -0.121
REMARK 500 5 HIS A 19 CG HIS A 19 ND1 -0.122
REMARK 500 5 HIS A 20 CG HIS A 20 ND1 -0.119
REMARK 500 5 HIS A 40 CG HIS A 40 ND1 -0.122
REMARK 500 5 HIS A 47 CG HIS A 47 ND1 -0.120
REMARK 500 5 HIS A 90 CG HIS A 90 ND1 -0.122
REMARK 500 6 HIS A 3 CG HIS A 3 ND1 -0.121
REMARK 500 6 HIS A 19 CG HIS A 19 ND1 -0.119
REMARK 500 6 HIS A 20 CG HIS A 20 ND1 -0.121
REMARK 500 6 HIS A 40 CG HIS A 40 ND1 -0.118
REMARK 500 6 HIS A 47 CG HIS A 47 ND1 -0.122
REMARK 500 6 HIS A 90 CG HIS A 90 ND1 -0.122
REMARK 500 7 HIS A 3 CG HIS A 3 ND1 -0.121
REMARK 500 7 HIS A 19 CG HIS A 19 ND1 -0.121
REMARK 500 7 HIS A 20 CG HIS A 20 ND1 -0.121
REMARK 500 7 HIS A 40 CG HIS A 40 ND1 -0.120
REMARK 500 7 HIS A 47 CG HIS A 47 ND1 -0.122
REMARK 500 7 HIS A 90 CG HIS A 90 ND1 -0.122
REMARK 500 8 HIS A 3 CG HIS A 3 ND1 -0.120
REMARK 500 8 HIS A 19 CG HIS A 19 ND1 -0.121
REMARK 500 8 HIS A 20 CG HIS A 20 ND1 -0.123
REMARK 500 8 HIS A 40 CG HIS A 40 ND1 -0.122
REMARK 500 8 HIS A 47 CG HIS A 47 ND1 -0.121
REMARK 500 8 HIS A 90 CG HIS A 90 ND1 -0.119
REMARK 500 9 HIS A 3 CG HIS A 3 ND1 -0.119
REMARK 500 9 HIS A 19 CG HIS A 19 ND1 -0.119
REMARK 500
REMARK 500 THIS ENTRY HAS 120 BOND DEVIATIONS.
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 SER A 2 7.76 -179.53
REMARK 500 1 PRO A 5 -170.74 -68.89
REMARK 500 1 ARG A 6 -148.99 -89.93
REMARK 500 1 ASN A 7 -18.65 -142.29
REMARK 500 1 SER A 8 31.07 -78.80
REMARK 500 1 ILE A 17 -92.21 -156.35
REMARK 500 1 HIS A 19 -6.18 -39.94
REMARK 500 1 HIS A 20 -72.86 -31.05
REMARK 500 1 LYS A 21 -72.92 -96.89
REMARK 500 1 ALA A 35 -70.42 -79.32
REMARK 500 1 GLU A 37 -70.26 -44.90
REMARK 500 1 SER A 44 57.05 116.73
REMARK 500 1 THR A 48 -61.24 -90.08
REMARK 500 1 GLU A 53 -8.27 -49.55
REMARK 500 1 GLU A 55 -66.09 -95.66
REMARK 500 1 LYS A 58 -72.30 -32.37
REMARK 500 1 VAL A 59 77.71 -161.41
REMARK 500 1 ASN A 60 -10.43 -161.39
REMARK 500 1 ASN A 61 -80.16 -52.81
REMARK 500 1 THR A 64 -75.44 -152.92
REMARK 500 1 ARG A 72 -71.01 -41.79
REMARK 500 1 TYR A 73 -71.36 -50.74
REMARK 500 1 ILE A 75 -71.35 -61.07
REMARK 500 1 ILE A 76 -9.46 -57.32
REMARK 500 1 TYR A 77 -28.29 -37.79
REMARK 500 1 SER A 82 -63.85 -95.28
REMARK 500 1 LYS A 83 -87.64 -129.86
REMARK 500 1 ASN A 84 -159.18 -159.24
REMARK 500 1 PRO A 86 27.24 -69.84
REMARK 500 1 ASP A 87 65.18 60.43
REMARK 500 1 LEU A 88 -32.85 -33.08
REMARK 500 1 ASN A 94 57.12 -155.44
REMARK 500 1 PRO A 99 34.36 18.69
REMARK 500 1 LEU A 102 -8.27 -53.43
REMARK 500 1 THR A 104 -16.54 -150.27
REMARK 500 1 PRO A 112 -151.51 -62.98
REMARK 500 1 ALA A 113 86.93 -168.77
REMARK 500 2 MET A 4 64.01 -168.64
REMARK 500 2 PRO A 5 -176.37 -64.06
REMARK 500 2 ARG A 6 88.03 24.00
REMARK 500 2 ALA A 16 88.77 -160.38
REMARK 500 2 ILE A 17 -80.07 -164.52
REMARK 500 2 TYR A 18 -5.37 -54.00
REMARK 500 2 HIS A 19 -7.23 -41.06
REMARK 500 2 HIS A 20 -72.42 -32.95
REMARK 500 2 LYS A 21 -74.15 -98.38
REMARK 500 2 LEU A 22 14.51 -154.18
REMARK 500 2 GLU A 37 -70.67 -42.12
REMARK 500 2 SER A 44 78.66 -171.00
REMARK 500 2 THR A 48 -70.27 -91.04
REMARK 500
REMARK 500 THIS ENTRY HAS 563 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 1 ARG A 6 0.31 SIDE CHAIN
REMARK 500 1 ARG A 23 0.30 SIDE CHAIN
REMARK 500 1 ARG A 72 0.13 SIDE CHAIN
REMARK 500 1 ARG A 74 0.32 SIDE CHAIN
REMARK 500 2 ARG A 6 0.32 SIDE CHAIN
REMARK 500 2 ARG A 23 0.19 SIDE CHAIN
REMARK 500 2 ARG A 72 0.23 SIDE CHAIN
REMARK 500 2 ARG A 74 0.17 SIDE CHAIN
REMARK 500 3 ARG A 6 0.31 SIDE CHAIN
REMARK 500 3 ARG A 23 0.31 SIDE CHAIN
REMARK 500 3 ARG A 72 0.32 SIDE CHAIN
REMARK 500 3 ARG A 74 0.31 SIDE CHAIN
REMARK 500 4 ARG A 6 0.21 SIDE CHAIN
REMARK 500 4 ARG A 23 0.26 SIDE CHAIN
REMARK 500 4 ARG A 72 0.32 SIDE CHAIN
REMARK 500 4 ARG A 74 0.08 SIDE CHAIN
REMARK 500 5 ARG A 6 0.27 SIDE CHAIN
REMARK 500 5 ARG A 23 0.22 SIDE CHAIN
REMARK 500 5 ARG A 72 0.27 SIDE CHAIN
REMARK 500 5 ARG A 74 0.31 SIDE CHAIN
REMARK 500 6 ARG A 6 0.21 SIDE CHAIN
REMARK 500 6 ARG A 72 0.32 SIDE CHAIN
REMARK 500 7 ARG A 6 0.30 SIDE CHAIN
REMARK 500 7 ARG A 23 0.32 SIDE CHAIN
REMARK 500 7 ARG A 72 0.18 SIDE CHAIN
REMARK 500 7 ARG A 74 0.29 SIDE CHAIN
REMARK 500 8 ARG A 6 0.16 SIDE CHAIN
REMARK 500 8 ARG A 23 0.30 SIDE CHAIN
REMARK 500 8 ARG A 72 0.20 SIDE CHAIN
REMARK 500 8 ARG A 74 0.21 SIDE CHAIN
REMARK 500 9 ARG A 6 0.15 SIDE CHAIN
REMARK 500 9 ARG A 23 0.30 SIDE CHAIN
REMARK 500 9 ARG A 72 0.15 SIDE CHAIN
REMARK 500 9 ARG A 74 0.22 SIDE CHAIN
REMARK 500 10 ARG A 6 0.26 SIDE CHAIN
REMARK 500 10 ARG A 23 0.08 SIDE CHAIN
REMARK 500 10 ARG A 72 0.32 SIDE CHAIN
REMARK 500 10 ARG A 74 0.31 SIDE CHAIN
REMARK 500 11 ARG A 6 0.32 SIDE CHAIN
REMARK 500 11 ARG A 23 0.31 SIDE CHAIN
REMARK 500 11 ARG A 72 0.31 SIDE CHAIN
REMARK 500 11 ARG A 74 0.32 SIDE CHAIN
REMARK 500 12 ARG A 6 0.32 SIDE CHAIN
REMARK 500 12 ARG A 23 0.31 SIDE CHAIN
REMARK 500 12 ARG A 72 0.31 SIDE CHAIN
REMARK 500 12 ARG A 74 0.31 SIDE CHAIN
REMARK 500 13 ARG A 6 0.31 SIDE CHAIN
REMARK 500 13 ARG A 23 0.19 SIDE CHAIN
REMARK 500 13 ARG A 72 0.28 SIDE CHAIN
REMARK 500 13 ARG A 74 0.18 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 76 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1ENW A 5 114 UNP P07273 TFS2_YEAST 131 240
SEQADV 1ENW GLY A 1 UNP P07273 CLONING ARTIFACT
SEQADV 1ENW SER A 2 UNP P07273 CLONING ARTIFACT
SEQADV 1ENW HIS A 3 UNP P07273 CLONING ARTIFACT
SEQADV 1ENW MET A 4 UNP P07273 CLONING ARTIFACT
SEQRES 1 A 114 GLY SER HIS MET PRO ARG ASN SER LYS ASN ASP GLY VAL
SEQRES 2 A 114 ASP THR ALA ILE TYR HIS HIS LYS LEU ARG ASP GLN VAL
SEQRES 3 A 114 LEU LYS ALA LEU TYR ASP VAL LEU ALA LYS GLU SER GLU
SEQRES 4 A 114 HIS PRO PRO GLN SER ILE LEU HIS THR ALA LYS ALA ILE
SEQRES 5 A 114 GLU SER GLU MET ASN LYS VAL ASN ASN CYS ASP THR ASN
SEQRES 6 A 114 GLU ALA ALA TYR LYS ALA ARG TYR ARG ILE ILE TYR SER
SEQRES 7 A 114 ASN VAL ILE SER LYS ASN ASN PRO ASP LEU LYS HIS LYS
SEQRES 8 A 114 ILE ALA ASN GLY ASP ILE THR PRO GLU PHE LEU ALA THR
SEQRES 9 A 114 CYS ASP ALA LYS ASP LEU ALA PRO ALA PRO
HELIX 1 1 LEU A 22 SER A 38 1 17
HELIX 2 2 SER A 44 GLU A 53 1 10
HELIX 3 3 ASN A 65 ILE A 81 1 17
HELIX 4 4 HIS A 90 GLY A 95 1 6
HELIX 5 5 PHE A 101 ASP A 106 1 6
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 - c 21 2 Bytes