Header list of 1zbn.pdb file
Complete list - 2 20 Bytes
HEADER RNA BINDING PROTEIN/RNA 08-APR-05 1ZBN
TITLE SOLUTION STRUCTURE OF BIV TAR HAIRPIN COMPLEXED TO JDV TAT ARGININE-
TITLE 2 RICH MOTIF
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: BIV MRNA;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MUTATION: YES;
COMPND 6 OTHER_DETAILS: A4G, U31C;
COMPND 7 MOL_ID: 2;
COMPND 8 MOLECULE: JDV TAT PROTEIN;
COMPND 9 CHAIN: B;
COMPND 10 FRAGMENT: ARGININE-RICH DOMAIN;
COMPND 11 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN BOVINE
SOURCE 4 IMMUNODEFICIENCY VIRUS (BIV).;
SOURCE 5 MOL_ID: 2;
SOURCE 6 SYNTHETIC: YES;
SOURCE 7 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN JEMBRANA DISEASE
SOURCE 8 VIRUS (JDV).
KEYWDS RNA-PEPTIDE COMPLEX, RNA BINDING PROTEIN-RNA COMPLEX
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR V.CALABRO,M.D.DAUGHERTY,A.D.FRANKEL
REVDAT 4 02-MAR-22 1ZBN 1 REMARK
REVDAT 3 24-FEB-09 1ZBN 1 VERSN
REVDAT 2 10-MAY-05 1ZBN 1 JRNL
REVDAT 1 19-APR-05 1ZBN 0
JRNL AUTH V.CALABRO,M.D.DAUGHERTY,A.D.FRANKEL
JRNL TITL A SINGLE INTERMOLECULAR CONTACT MEDIATES INTRAMOLECULAR
JRNL TITL 2 STABILIZATION OF BOTH RNA AND PROTEIN.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 102 6849 2005
JRNL REFN ISSN 0027-8424
JRNL PMID 15857951
JRNL DOI 10.1073/PNAS.0409282102
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH C.A.SMITH,V.CALABRO,A.D.FRANKEL
REMARK 1 TITL AN RNA-BINDING CHAMELEON
REMARK 1 REF MOL.CELL V. 6 1067 2000
REMARK 1 REFN ISSN 1097-2765
REMARK 1 REFERENCE 2
REMARK 1 AUTH J.D.PUGLISI,L.CHEN,S.BLANCHARD,A.D.FRANKEL
REMARK 1 TITL SOLUTION STRUCTURE OF A BOVINE IMMUNODEFICIENCY VIRUS
REMARK 1 TITL 2 TAT-TAR PEPTIDE-RNA COMPLEX
REMARK 1 REF SCIENCE V. 270 1200 1995
REMARK 1 REFN ISSN 0036-8075
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CYANA 1.X, CNS 1.1
REMARK 3 AUTHORS : GUENTERT (CYANA), BRUNGER (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 STRUCTURES WERE CALCULATED BEGINNING WITH 1,000 RANDOM STRUCTURES
REMARK 3 AND INCREMENTALLY ADDING DISTANCE CONSTRAINTS IN FOUR ITERATIONS.
REMARK 3 THE FINAL 30 STRUCTURES WITH THE LOWEST NUMBER OF VIOLATIONS WERE
REMARK 3 SUBJECTED TO RMD.
REMARK 3 THE STRUCTURES ARE BASED ON A TOTAL OF 700 DISTANCE CONSTRAINTS,
REMARK 3 61 DIHEDRAL ANGLE RESTRAINTS.
REMARK 4
REMARK 4 1ZBN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-APR-05.
REMARK 100 THE DEPOSITION ID IS D_1000032536.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 290; 285; 300
REMARK 210 PH : 6.5; 6.5; 6.5
REMARK 210 IONIC STRENGTH : 50MM NACL, 10MM SODIUM
REMARK 210 PHOSPHATE; 50MM NACL, 10MM
REMARK 210 SODIUM PHOSPHATE; 50MM NACL,
REMARK 210 10MM SODIUM PHOSPHATE
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.5MM RNA, 1.5MM PEPTIDE, 90%
REMARK 210 H2O, 10% D2O; 1.5MM RNA, 1.5MM
REMARK 210 PEPTIDE, 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY; 2D TOCSY; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE NA, SPARKY 3
REMARK 210 METHOD USED : DISTANCE GEOMETRY AND RESTRAINED
REMARK 210 MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 30
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
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: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES.
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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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 O4 U A 13 H61 A A 18 1.44
REMARK 500 H61 A A 10 O4 U A 21 1.45
REMARK 500 H1' U A 7 O5' G A 8 1.50
REMARK 500 O2' C A 23 H8 G A 24 1.57
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 ARG B 2 84.19 -58.29
REMARK 500 1 ARG B 3 -178.47 -177.04
REMARK 500 1 LYS B 5 100.77 28.66
REMARK 500 1 ARG B 6 -58.01 -163.60
REMARK 500 1 LYS B 11 43.30 -163.60
REMARK 500 1 LYS B 14 171.91 64.11
REMARK 500 1 HIS B 16 90.56 35.02
REMARK 500 2 ARG B 3 139.63 62.56
REMARK 500 2 LYS B 4 38.24 34.62
REMARK 500 2 ARG B 6 -51.55 -151.20
REMARK 500 2 LYS B 11 36.32 113.68
REMARK 500 2 LYS B 14 158.50 -36.27
REMARK 500 2 HIS B 16 80.61 -152.31
REMARK 500 3 ARG B 3 -174.33 179.96
REMARK 500 3 LYS B 5 -156.11 44.84
REMARK 500 3 ARG B 6 -62.54 76.17
REMARK 500 3 LYS B 11 38.24 105.95
REMARK 500 3 LYS B 14 168.63 47.31
REMARK 500 4 ARG B 2 153.49 72.56
REMARK 500 4 ARG B 3 179.01 94.65
REMARK 500 4 LYS B 5 114.75 24.50
REMARK 500 4 ARG B 6 -50.12 -178.43
REMARK 500 4 LYS B 11 45.68 -163.39
REMARK 500 4 LYS B 14 170.36 44.64
REMARK 500 4 HIS B 16 86.52 9.86
REMARK 500 5 ARG B 2 113.74 33.07
REMARK 500 5 ARG B 3 147.27 72.19
REMARK 500 5 ARG B 6 -49.79 -132.05
REMARK 500 5 LYS B 11 45.76 -166.25
REMARK 500 5 LYS B 14 169.63 45.42
REMARK 500 5 HIS B 16 86.11 11.64
REMARK 500 6 ARG B 2 126.54 50.95
REMARK 500 6 ARG B 3 132.35 70.59
REMARK 500 6 ARG B 6 -51.18 -176.64
REMARK 500 6 ARG B 9 30.13 -96.72
REMARK 500 6 LYS B 11 38.66 104.09
REMARK 500 6 LYS B 14 158.72 64.28
REMARK 500 6 HIS B 16 89.36 21.07
REMARK 500 7 ARG B 2 78.55 -9.16
REMARK 500 7 ARG B 3 106.74 173.19
REMARK 500 7 LYS B 4 40.47 38.22
REMARK 500 7 ARG B 6 -48.05 179.09
REMARK 500 7 LYS B 11 38.14 104.11
REMARK 500 7 LYS B 14 163.97 53.91
REMARK 500 7 HIS B 16 83.75 -158.46
REMARK 500 8 ARG B 3 -145.11 81.09
REMARK 500 8 LYS B 4 -44.45 -23.55
REMARK 500 8 LYS B 5 76.38 10.66
REMARK 500 8 ARG B 6 -54.64 -135.66
REMARK 500 8 LYS B 11 38.47 102.89
REMARK 500
REMARK 500 THIS ENTRY HAS 69 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1BIV RELATED DB: PDB
REMARK 900 THE SAME RNA COMPLEXED WITH BIV TAT (65-81) ARGININE-RICH DOMAIN
REMARK 900 RELATED ID: 1MNB RELATED DB: PDB
REMARK 900 THE SAME RNA COMPLEXED WITH BIV TAT (68-81) ARGININE-RICH DOMAIN
DBREF 1ZBN A 1 28 PDB 1ZBN 1ZBN 1 28
DBREF 1ZBN B 1 17 PDB 1ZBN 1ZBN 1 17
SEQRES 1 A 28 G G C U C G U G U A G C U
SEQRES 2 A 28 C A U U A G C U C C G A G
SEQRES 3 A 28 C C
SEQRES 1 B 17 GLY ARG ARG LYS LYS ARG GLY THR ARG GLY LYS GLY ARG
SEQRES 2 B 17 LYS ILE HIS TYR
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 - 2 20 Bytes