Header list of 1a63.pdb file
Complete list - v 6 2 Bytes
HEADER TRANSCRIPTION TERMINATION 05-MAR-98 1A63
TITLE THE NMR STRUCTURE OF THE RNA BINDING DOMAIN OF E.COLI RHO FACTOR
TITLE 2 SUGGESTS POSSIBLE RNA-PROTEIN INTERACTIONS, 10 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RHO;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RNA BINDING DOMAIN, RESIDUES 1 - 130;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI BL21(DE3);
SOURCE 3 ORGANISM_TAXID: 469008;
SOURCE 4 STRAIN: BL21 (DE3);
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_VECTOR: T7;
SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET11A;
SOURCE 12 EXPRESSION_SYSTEM_GENE: RHO
KEYWDS TRANSCRIPTION TERMINATION, TERMINATION, RNA BINDING DOMAIN,
KEYWDS 2 TRANSCRIPTION REGULATION, OB FOLD
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR D.M.BRIERCHECK,T.C.WOOD,T.J.ALLISON,J.P.RICHARDSON,G.S.RULE
REVDAT 3 06-NOV-19 1A63 1 REMARK
REVDAT 2 24-FEB-09 1A63 1 VERSN
REVDAT 1 27-MAY-98 1A63 0
JRNL AUTH D.M.BRIERCHECK,T.C.WOOD,T.J.ALLISON,J.P.RICHARDSON,G.S.RULE
JRNL TITL THE NMR STRUCTURE OF THE RNA BINDING DOMAIN OF E. COLI RHO
JRNL TITL 2 FACTOR SUGGESTS POSSIBLE RNA-PROTEIN INTERACTIONS.
JRNL REF NAT.STRUCT.BIOL. V. 5 393 1998
JRNL REFN ISSN 1072-8368
JRNL PMID 9587002
JRNL DOI 10.1038/NSB0598-393
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH T.J.ALLISON,T.C.WOOD,D.M.BRIERCHECK,F.RASTINEJAD,
REMARK 1 AUTH 2 J.P.RICHARDSON,G.S.RULE
REMARK 1 TITL CRYSTAL STRUCTURE OF THE RNA-BINDING DOMAIN FROM
REMARK 1 TITL 2 TRANSCRIPTION TERMINATION FACTOR RHO
REMARK 1 REF TO BE PUBLISHED
REMARK 1 REFN
REMARK 1 REFERENCE 2
REMARK 1 AUTH D.M.BRIERCHECK,T.J.ALLISON,J.P.RICHARDSON,J.F.ELLENA,
REMARK 1 AUTH 2 T.C.WOOD,G.S.RULE
REMARK 1 TITL 1H, 15N AND 13C RESONANCE ASSIGNMENTS AND SECONDARY
REMARK 1 TITL 2 STRUCTURE DETERMINATION OF THE RNA-BINDING DOMAIN OF E.COLI
REMARK 1 TITL 3 RHO PROTEIN
REMARK 1 REF J.BIOMOL.NMR V. 8 429 1996
REMARK 1 REFN ISSN 0925-2738
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURES WERE GENERATED USING
REMARK 3 DISTANCE GEOMETRY FOLLOWED BY SIMULATED ANNEALING. THE 10 LOWEST
REMARK 3 ENERGY STRUCTURES ARE REPORTED. THE RMSD FOR ALL BACKBONE
REMARK 3 INVOLVED IN SECONDARY STRUCTURE
REMARK 4
REMARK 4 1A63 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_1000170438.
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 : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY TRIPLE RESONANCE
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITYPLUS; DMX
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX, X-PLOR
REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 140
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST 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 O LEU A 26 H MET A 29 1.46
REMARK 500 HH22 ARG A 66 O LEU A 73 1.50
REMARK 500 O PRO A 83 H ARG A 87 1.53
REMARK 500 O GLU A 108 H TYR A 110 1.54
REMARK 500 O LEU A 58 H GLY A 61 1.56
REMARK 500 O ALA A 43 H GLY A 46 1.56
REMARK 500 O THR A 4 HD21 ASN A 8 1.56
REMARK 500 HG SER A 12 OE1 GLU A 13 1.58
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 LYS A 31 -34.54 -35.91
REMARK 500 1 ARG A 66 -154.21 177.12
REMARK 500 1 SER A 67 -148.90 -65.20
REMARK 500 1 ASP A 69 -162.18 -65.64
REMARK 500 1 SER A 70 -74.58 -126.74
REMARK 500 1 SER A 71 -10.93 78.20
REMARK 500 1 TYR A 72 -45.06 75.38
REMARK 500 1 ALA A 74 -148.63 -80.68
REMARK 500 1 ASP A 78 -158.44 -77.12
REMARK 500 1 PRO A 104 -93.90 -72.17
REMARK 500 1 GLU A 108 -78.68 -85.72
REMARK 500 1 ARG A 109 -59.91 65.08
REMARK 500 1 LEU A 114 -55.48 -127.84
REMARK 500 1 ASN A 120 51.61 39.61
REMARK 500 1 PRO A 124 44.73 -71.79
REMARK 500 1 GLU A 125 -153.40 -177.51
REMARK 500 1 ASN A 126 -150.38 167.00
REMARK 500 1 ALA A 127 33.17 172.88
REMARK 500 1 ASN A 129 140.65 63.27
REMARK 500 2 GLN A 59 -37.05 -32.74
REMARK 500 2 ARG A 66 -179.97 -178.42
REMARK 500 2 SER A 67 -159.12 -71.51
REMARK 500 2 ALA A 68 -85.76 -120.42
REMARK 500 2 ASP A 69 56.06 -69.09
REMARK 500 2 SER A 71 -14.84 169.47
REMARK 500 2 TYR A 72 -42.57 76.64
REMARK 500 2 ALA A 74 -156.86 -79.54
REMARK 500 2 ASP A 78 -154.05 -70.74
REMARK 500 2 PRO A 104 -99.18 -68.48
REMARK 500 2 ARG A 109 -52.61 66.37
REMARK 500 2 LEU A 114 -59.55 -132.79
REMARK 500 2 ASN A 120 -31.54 -32.80
REMARK 500 2 PHE A 121 59.08 -157.29
REMARK 500 2 PRO A 124 31.24 -79.58
REMARK 500 2 GLU A 125 -134.67 -179.12
REMARK 500 2 ASN A 126 -83.41 167.58
REMARK 500 2 ALA A 127 -165.84 -179.55
REMARK 500 3 LEU A 23 63.98 -103.52
REMARK 500 3 GLU A 24 -167.71 -57.11
REMARK 500 3 GLN A 59 -36.72 -38.24
REMARK 500 3 ARG A 66 -162.75 178.26
REMARK 500 3 SER A 67 -156.80 -72.74
REMARK 500 3 ALA A 68 -90.86 -127.30
REMARK 500 3 ASP A 69 48.36 -73.36
REMARK 500 3 SER A 71 -26.90 177.86
REMARK 500 3 TYR A 72 -43.54 76.41
REMARK 500 3 ALA A 74 -157.69 -79.18
REMARK 500 3 ASP A 78 -152.91 -76.37
REMARK 500 3 PRO A 104 -152.06 -71.65
REMARK 500 3 ARG A 109 -41.42 68.84
REMARK 500
REMARK 500 THIS ENTRY HAS 173 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 28 0.24 SIDE CHAIN
REMARK 500 1 ARG A 30 0.27 SIDE CHAIN
REMARK 500 1 ARG A 66 0.23 SIDE CHAIN
REMARK 500 1 ARG A 87 0.32 SIDE CHAIN
REMARK 500 1 ARG A 88 0.32 SIDE CHAIN
REMARK 500 1 ARG A 92 0.27 SIDE CHAIN
REMARK 500 1 ARG A 102 0.31 SIDE CHAIN
REMARK 500 1 ARG A 109 0.28 SIDE CHAIN
REMARK 500 1 ARG A 128 0.19 SIDE CHAIN
REMARK 500 2 ARG A 28 0.17 SIDE CHAIN
REMARK 500 2 ARG A 30 0.14 SIDE CHAIN
REMARK 500 2 ARG A 66 0.30 SIDE CHAIN
REMARK 500 2 ARG A 87 0.27 SIDE CHAIN
REMARK 500 2 ARG A 88 0.31 SIDE CHAIN
REMARK 500 2 ARG A 92 0.21 SIDE CHAIN
REMARK 500 2 ARG A 102 0.31 SIDE CHAIN
REMARK 500 2 ARG A 109 0.26 SIDE CHAIN
REMARK 500 2 ARG A 128 0.31 SIDE CHAIN
REMARK 500 3 ARG A 28 0.31 SIDE CHAIN
REMARK 500 3 ARG A 30 0.19 SIDE CHAIN
REMARK 500 3 ARG A 87 0.30 SIDE CHAIN
REMARK 500 3 ARG A 88 0.32 SIDE CHAIN
REMARK 500 3 ARG A 92 0.30 SIDE CHAIN
REMARK 500 3 ARG A 102 0.31 SIDE CHAIN
REMARK 500 3 ARG A 128 0.28 SIDE CHAIN
REMARK 500 4 ARG A 28 0.23 SIDE CHAIN
REMARK 500 4 ARG A 30 0.31 SIDE CHAIN
REMARK 500 4 ARG A 66 0.13 SIDE CHAIN
REMARK 500 4 ARG A 87 0.26 SIDE CHAIN
REMARK 500 4 ARG A 88 0.17 SIDE CHAIN
REMARK 500 4 ARG A 92 0.25 SIDE CHAIN
REMARK 500 4 ARG A 102 0.32 SIDE CHAIN
REMARK 500 4 ARG A 128 0.32 SIDE CHAIN
REMARK 500 5 ARG A 28 0.22 SIDE CHAIN
REMARK 500 5 ARG A 30 0.15 SIDE CHAIN
REMARK 500 5 ARG A 87 0.08 SIDE CHAIN
REMARK 500 5 ARG A 88 0.31 SIDE CHAIN
REMARK 500 5 ARG A 92 0.30 SIDE CHAIN
REMARK 500 5 ARG A 102 0.23 SIDE CHAIN
REMARK 500 5 ARG A 109 0.28 SIDE CHAIN
REMARK 500 5 ARG A 128 0.28 SIDE CHAIN
REMARK 500 6 ARG A 28 0.31 SIDE CHAIN
REMARK 500 6 ARG A 30 0.32 SIDE CHAIN
REMARK 500 6 ARG A 66 0.31 SIDE CHAIN
REMARK 500 6 ARG A 87 0.14 SIDE CHAIN
REMARK 500 6 ARG A 88 0.21 SIDE CHAIN
REMARK 500 6 ARG A 92 0.25 SIDE CHAIN
REMARK 500 6 ARG A 102 0.32 SIDE CHAIN
REMARK 500 6 ARG A 109 0.30 SIDE CHAIN
REMARK 500 6 ARG A 128 0.30 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 84 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1A63 A 1 130 UNP P03002 RHO_ECOLI 1 130
SEQRES 1 A 130 MET ASN LEU THR GLU LEU LYS ASN THR PRO VAL SER GLU
SEQRES 2 A 130 LEU ILE THR LEU GLY GLU ASN MET GLY LEU GLU ASN LEU
SEQRES 3 A 130 ALA ARG MET ARG LYS GLN ASP ILE ILE PHE ALA ILE LEU
SEQRES 4 A 130 LYS GLN HIS ALA LYS SER GLY GLU ASP ILE PHE GLY ASP
SEQRES 5 A 130 GLY VAL LEU GLU ILE LEU GLN ASP GLY PHE GLY PHE LEU
SEQRES 6 A 130 ARG SER ALA ASP SER SER TYR LEU ALA GLY PRO ASP ASP
SEQRES 7 A 130 ILE TYR VAL SER PRO SER GLN ILE ARG ARG PHE ASN LEU
SEQRES 8 A 130 ARG THR GLY ASP THR ILE SER GLY LYS ILE ARG PRO PRO
SEQRES 9 A 130 LYS GLU GLY GLU ARG TYR PHE ALA LEU LEU LYS VAL ASN
SEQRES 10 A 130 GLU VAL ASN PHE ASP LYS PRO GLU ASN ALA ARG ASN LYS
HELIX 1 1 LEU A 3 ASN A 8 1 6
HELIX 2 2 VAL A 11 MET A 21 1 11
HELIX 3 3 LEU A 26 ARG A 28 5 3
HELIX 4 4 LYS A 31 LYS A 44 1 14
HELIX 5 5 PRO A 83 PHE A 89 1 7
SHEET 1 A 3 PHE A 50 VAL A 54 0
SHEET 2 A 3 THR A 96 LYS A 100 -1 N GLY A 99 O GLY A 51
SHEET 3 A 3 LYS A 115 VAL A 119 -1 N GLU A 118 O SER A 98
SHEET 1 B 2 GLY A 63 LEU A 65 0
SHEET 2 B 2 ILE A 79 VAL A 81 -1 N VAL A 81 O GLY A 63
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 - v 6 2 Bytes