Header list of 1dsk.pdb file
Complete list - 20 20 Bytes
HEADER VIRAL PEPTIDE 23-OCT-97 1DSK
TITLE NMR SOLUTION STRUCTURE OF VPR59_86, 20 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: VPR PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 59 - 86;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1;
SOURCE 3 ORGANISM_TAXID: 11676
KEYWDS VIRAL PEPTIDE, POLYPEPTIDE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR S.YAO,A.M.TORRES,A.A.AZAD,I.G.MACREADIE,R.S.NORTON
REVDAT 3 20-DEC-17 1DSK 1 JRNL REMARK
REVDAT 2 24-FEB-09 1DSK 1 VERSN
REVDAT 1 01-JUL-98 1DSK 0
JRNL AUTH S.YAO,A.M.TORRES,A.A.AZAD,I.G.MACREADIE,R.S.NORTON
JRNL TITL SOLUTION STRUCTURE OF PEPTIDES FROM HIV-1 VPR PROTEIN THAT
JRNL TITL 2 CAUSE MEMBRANE PERMEABILIZATION AND GROWTH ARREST.
JRNL REF J. PEPT. SCI. V. 4 426 1998
JRNL REFN ISSN 1075-2617
JRNL PMID 9851370
JRNL DOI 10.1002/(SICI)1099-1387(199811)4:7<426::AID-PSC161>3.0
JRNL DOI 2 .CO;2-J
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH L.WANG,S.MUKHERJEE,O.NARAYAN,L.J.ZHAO
REMARK 1 TITL CHARACTERIZATION OF A LEUCINE-ZIPPER-LIKE DOMAIN IN VPR
REMARK 1 TITL 2 PROTEIN OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1.
REMARK 1 REF GENE V. 178 7 1996
REMARK 1 REFN ISSN 0378-1119
REMARK 1 PMID 8921884
REMARK 1 REFERENCE 2
REMARK 1 AUTH I.G.MACREADIE,L.A.CASTELLI,D.R.HEWISH,A.KIRKPATRICK,
REMARK 1 AUTH 2 A.C.WARD,A.A.AZAD
REMARK 1 TITL A DOMAIN OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 VPR
REMARK 1 TITL 2 CONTAINING REPEATED H(S/F)RIG AMINO ACID MOTIFS CAUSES CELL
REMARK 1 TITL 3 GROWTH ARREST AND STRUCTURAL DEFECTS.
REMARK 1 REF PROC. NATL. ACAD. SCI. V. 92 2770 1995
REMARK 1 REF 2 U.S.A.
REMARK 1 REFN ISSN 0027-8424
REMARK 1 PMID 7708721
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1DSK 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_1000172924.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 3.3
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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: 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 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 1 HIS A 78 NE2 HIS A 78 CD2 -0.068
REMARK 500 2 HIS A 71 NE2 HIS A 71 CD2 -0.069
REMARK 500 2 HIS A 78 NE2 HIS A 78 CD2 -0.067
REMARK 500 3 HIS A 71 NE2 HIS A 71 CD2 -0.069
REMARK 500 3 HIS A 78 NE2 HIS A 78 CD2 -0.069
REMARK 500 4 HIS A 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 4 HIS A 78 NE2 HIS A 78 CD2 -0.070
REMARK 500 5 HIS A 71 NE2 HIS A 71 CD2 -0.067
REMARK 500 5 HIS A 78 NE2 HIS A 78 CD2 -0.067
REMARK 500 6 HIS A 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 6 HIS A 78 NE2 HIS A 78 CD2 -0.070
REMARK 500 7 HIS A 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 7 HIS A 78 NE2 HIS A 78 CD2 -0.069
REMARK 500 8 HIS A 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 8 HIS A 78 NE2 HIS A 78 CD2 -0.069
REMARK 500 9 HIS A 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 9 HIS A 78 NE2 HIS A 78 CD2 -0.068
REMARK 500 10 HIS A 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 10 HIS A 78 NE2 HIS A 78 CD2 -0.069
REMARK 500 11 HIS A 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 11 HIS A 78 NE2 HIS A 78 CD2 -0.068
REMARK 500 12 HIS A 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 12 HIS A 78 NE2 HIS A 78 CD2 -0.068
REMARK 500 13 HIS A 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 13 HIS A 78 NE2 HIS A 78 CD2 -0.070
REMARK 500 14 HIS A 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 14 HIS A 78 NE2 HIS A 78 CD2 -0.068
REMARK 500 15 HIS A 71 NE2 HIS A 71 CD2 -0.067
REMARK 500 15 HIS A 78 NE2 HIS A 78 CD2 -0.068
REMARK 500 16 HIS A 71 NE2 HIS A 71 CD2 -0.067
REMARK 500 16 HIS A 78 NE2 HIS A 78 CD2 -0.069
REMARK 500 17 HIS A 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 17 HIS A 78 NE2 HIS A 78 CD2 -0.068
REMARK 500 18 HIS A 71 NE2 HIS A 71 CD2 -0.069
REMARK 500 18 HIS A 78 NE2 HIS A 78 CD2 -0.067
REMARK 500 19 HIS A 71 NE2 HIS A 71 CD2 -0.067
REMARK 500 19 HIS A 78 NE2 HIS A 78 CD2 -0.068
REMARK 500 20 HIS A 71 NE2 HIS A 71 CD2 -0.068
REMARK 500 20 HIS A 78 NE2 HIS A 78 CD2 -0.067
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 A 62 -47.05 -131.40
REMARK 500 1 CYS A 76 -5.79 -55.47
REMARK 500 1 SER A 79 35.28 -163.34
REMARK 500 1 ARG A 80 60.46 34.53
REMARK 500 1 THR A 84 -30.05 141.07
REMARK 500 1 ARG A 85 86.69 -59.73
REMARK 500 2 ILE A 61 13.95 -64.68
REMARK 500 2 ARG A 62 -37.63 -135.30
REMARK 500 2 HIS A 78 -39.79 -31.44
REMARK 500 2 SER A 79 28.86 -146.76
REMARK 500 2 ARG A 80 70.12 43.41
REMARK 500 3 ILE A 61 27.06 -75.76
REMARK 500 3 ARG A 62 -49.96 -144.42
REMARK 500 3 CYS A 76 9.47 -59.55
REMARK 500 3 SER A 79 40.31 -171.75
REMARK 500 3 VAL A 83 -51.67 -20.94
REMARK 500 3 THR A 84 -46.78 -132.38
REMARK 500 4 ILE A 61 6.28 -64.36
REMARK 500 4 ARG A 62 -45.24 -132.95
REMARK 500 4 CYS A 76 7.54 -68.23
REMARK 500 4 SER A 79 31.59 -148.11
REMARK 500 4 ARG A 80 59.08 33.94
REMARK 500 4 ARG A 85 74.71 12.51
REMARK 500 5 ARG A 62 -47.05 -130.24
REMARK 500 5 SER A 79 28.32 -164.02
REMARK 500 5 THR A 84 -4.25 -141.56
REMARK 500 5 ARG A 85 50.35 28.48
REMARK 500 6 ILE A 61 14.95 -67.41
REMARK 500 6 ARG A 62 -44.62 -135.98
REMARK 500 6 SER A 79 29.11 -159.13
REMARK 500 6 ARG A 80 12.78 49.82
REMARK 500 7 ILE A 61 26.33 -75.55
REMARK 500 7 ARG A 62 -51.15 -143.65
REMARK 500 7 CYS A 76 3.13 -69.69
REMARK 500 7 SER A 79 54.57 169.89
REMARK 500 7 ARG A 80 36.94 34.10
REMARK 500 7 THR A 84 -63.66 152.77
REMARK 500 8 ILE A 61 15.01 -66.65
REMARK 500 8 ARG A 62 -40.61 -133.37
REMARK 500 8 CYS A 76 0.94 -60.49
REMARK 500 8 SER A 79 27.20 -147.74
REMARK 500 8 ARG A 80 58.48 33.29
REMARK 500 8 ILE A 81 -1.74 -54.42
REMARK 500 8 VAL A 83 -29.34 -34.95
REMARK 500 8 THR A 84 -51.36 -176.13
REMARK 500 9 ARG A 62 -41.06 -139.80
REMARK 500 9 CYS A 76 1.03 -62.41
REMARK 500 9 SER A 79 53.31 175.70
REMARK 500 9 ARG A 80 40.53 34.55
REMARK 500 9 ILE A 81 41.47 38.42
REMARK 500
REMARK 500 THIS ENTRY HAS 101 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 62 0.29 SIDE CHAIN
REMARK 500 1 ARG A 73 0.32 SIDE CHAIN
REMARK 500 1 ARG A 77 0.31 SIDE CHAIN
REMARK 500 1 ARG A 80 0.30 SIDE CHAIN
REMARK 500 1 ARG A 85 0.29 SIDE CHAIN
REMARK 500 2 ARG A 62 0.29 SIDE CHAIN
REMARK 500 2 ARG A 73 0.26 SIDE CHAIN
REMARK 500 2 ARG A 77 0.31 SIDE CHAIN
REMARK 500 2 ARG A 80 0.26 SIDE CHAIN
REMARK 500 2 ARG A 85 0.28 SIDE CHAIN
REMARK 500 3 ARG A 62 0.32 SIDE CHAIN
REMARK 500 3 ARG A 73 0.28 SIDE CHAIN
REMARK 500 3 ARG A 77 0.31 SIDE CHAIN
REMARK 500 3 ARG A 80 0.27 SIDE CHAIN
REMARK 500 3 ARG A 85 0.31 SIDE CHAIN
REMARK 500 4 ARG A 62 0.31 SIDE CHAIN
REMARK 500 4 ARG A 73 0.32 SIDE CHAIN
REMARK 500 4 ARG A 77 0.30 SIDE CHAIN
REMARK 500 4 ARG A 80 0.22 SIDE CHAIN
REMARK 500 4 ARG A 85 0.15 SIDE CHAIN
REMARK 500 5 ARG A 62 0.30 SIDE CHAIN
REMARK 500 5 ARG A 73 0.15 SIDE CHAIN
REMARK 500 5 ARG A 77 0.30 SIDE CHAIN
REMARK 500 5 ARG A 80 0.27 SIDE CHAIN
REMARK 500 5 ARG A 85 0.30 SIDE CHAIN
REMARK 500 6 ARG A 62 0.30 SIDE CHAIN
REMARK 500 6 ARG A 73 0.30 SIDE CHAIN
REMARK 500 6 ARG A 77 0.24 SIDE CHAIN
REMARK 500 6 ARG A 80 0.32 SIDE CHAIN
REMARK 500 6 ARG A 85 0.32 SIDE CHAIN
REMARK 500 7 ARG A 62 0.29 SIDE CHAIN
REMARK 500 7 ARG A 73 0.22 SIDE CHAIN
REMARK 500 7 ARG A 77 0.31 SIDE CHAIN
REMARK 500 7 ARG A 80 0.31 SIDE CHAIN
REMARK 500 7 ARG A 85 0.32 SIDE CHAIN
REMARK 500 8 ARG A 62 0.19 SIDE CHAIN
REMARK 500 8 ARG A 73 0.32 SIDE CHAIN
REMARK 500 8 ARG A 77 0.24 SIDE CHAIN
REMARK 500 8 ARG A 80 0.30 SIDE CHAIN
REMARK 500 8 ARG A 85 0.29 SIDE CHAIN
REMARK 500 9 ARG A 62 0.22 SIDE CHAIN
REMARK 500 9 ARG A 73 0.26 SIDE CHAIN
REMARK 500 9 ARG A 77 0.31 SIDE CHAIN
REMARK 500 9 ARG A 80 0.29 SIDE CHAIN
REMARK 500 9 ARG A 85 0.32 SIDE CHAIN
REMARK 500 10 ARG A 62 0.22 SIDE CHAIN
REMARK 500 10 ARG A 73 0.31 SIDE CHAIN
REMARK 500 10 ARG A 77 0.25 SIDE CHAIN
REMARK 500 10 ARG A 80 0.32 SIDE CHAIN
REMARK 500 10 ARG A 85 0.32 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 100 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1DSK A 59 86 UNP P12520 VPR_HV1N5 59 86
SEQRES 1 A 28 ALA ILE ILE ARG ILE LEU GLN GLN LEU LEU PHE ILE HIS
SEQRES 2 A 28 PHE ARG ILE GLY CYS ARG HIS SER ARG ILE GLY VAL THR
SEQRES 3 A 28 ARG GLN
HELIX 1 1 ILE A 60 ARG A 77 1SEE REMARK 650 18
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
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