Header list of 1nc8.pdb file
Complete list - 23 20 Bytes
HEADER VIRAL PROTEIN 14-MAY-98 1NC8
TITLE HIGH-RESOLUTION SOLUTION NMR STRUCTURE OF THE MINIMAL ACTIVE DOMAIN OF
TITLE 2 THE HUMAN IMMUNODEFICIENCY VIRUS TYPE-2 NUCLEOCAPSID PROTEIN, 15
TITLE 3 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: NUCLEOCAPSID PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 1-29;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 2;
SOURCE 3 ORGANISM_TAXID: 11709
KEYWDS NUCLEOCAPSID PROTEIN, HIV-2, RNA RECOGNITION, ZINC FINGER, VIRAL
KEYWDS 2 PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 15
AUTHOR Y.KODERA,K.SATO,T.TSUKAHARA,H.KOMATSU,T.MAEDA,T.KOHNO
REVDAT 3 23-FEB-22 1NC8 1 REMARK LINK
REVDAT 2 24-FEB-09 1NC8 1 VERSN
REVDAT 1 25-MAY-99 1NC8 0
JRNL AUTH Y.KODERA,K.SATO,T.TSUKAHARA,H.KOMATSU,T.MAEDA,T.KOHNO
JRNL TITL HIGH-RESOLUTION SOLUTION NMR STRUCTURE OF THE MINIMAL ACTIVE
JRNL TITL 2 DOMAIN OF THE HUMAN IMMUNODEFICIENCY VIRUS TYPE-2
JRNL TITL 3 NUCLEOCAPSID PROTEIN.
JRNL REF BIOCHEMISTRY V. 37 17704 1998
JRNL REFN ISSN 0006-2960
JRNL PMID 9922136
JRNL DOI 10.1021/BI981818O
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 1NC8 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_1000175223.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 288
REMARK 210 PH : 5.8
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; COSY; TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DMX500
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR 3.1
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15
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: 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 HE1 HIS A 17 ZN ZN A 30 1.20
REMARK 500 NE2 HIS A 17 SG CYS A 22 2.02
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 GLN A 3 76.23 44.62
REMARK 500 1 ASN A 11 -76.93 -41.00
REMARK 500 1 ALA A 24 -74.72 -74.86
REMARK 500 1 ARG A 27 85.69 -178.79
REMARK 500 2 ARG A 4 76.50 177.21
REMARK 500 2 CYS A 9 109.63 -41.78
REMARK 500 2 ASN A 11 -79.29 -38.91
REMARK 500 2 ALA A 24 -72.86 -81.00
REMARK 500 2 ARG A 27 105.88 174.81
REMARK 500 3 LYS A 5 -96.77 -96.08
REMARK 500 3 VAL A 6 176.86 49.02
REMARK 500 3 CYS A 9 98.88 -41.05
REMARK 500 3 ASN A 11 -79.12 -39.79
REMARK 500 3 ALA A 24 -77.20 -71.57
REMARK 500 3 ARG A 27 100.02 166.61
REMARK 500 4 GLN A 2 -140.92 -71.91
REMARK 500 4 CYS A 9 97.30 -48.43
REMARK 500 4 ALA A 24 -76.50 -87.37
REMARK 500 4 ARG A 27 95.45 169.46
REMARK 500 4 GLN A 28 15.89 59.91
REMARK 500 5 GLN A 3 72.21 65.32
REMARK 500 5 ARG A 4 85.88 -163.43
REMARK 500 5 CYS A 9 108.32 -43.00
REMARK 500 5 ALA A 24 -82.08 -72.96
REMARK 500 5 ARG A 27 95.93 164.17
REMARK 500 6 LYS A 5 96.61 55.09
REMARK 500 6 CYS A 9 98.90 -45.77
REMARK 500 6 ALA A 24 -77.91 -72.02
REMARK 500 6 ARG A 27 103.80 171.14
REMARK 500 7 GLN A 2 61.57 -113.57
REMARK 500 7 LYS A 5 -43.20 -142.19
REMARK 500 7 CYS A 9 93.89 -39.91
REMARK 500 7 ALA A 24 -80.05 -68.12
REMARK 500 7 ARG A 27 113.55 172.21
REMARK 500 8 GLN A 2 151.67 176.39
REMARK 500 8 LYS A 5 143.09 168.23
REMARK 500 8 VAL A 6 155.42 -43.07
REMARK 500 8 CYS A 9 101.55 -43.22
REMARK 500 8 ALA A 24 -80.82 -82.16
REMARK 500 8 ARG A 27 100.92 172.87
REMARK 500 9 VAL A 6 166.83 54.49
REMARK 500 9 ALA A 24 -93.91 -68.65
REMARK 500 9 ARG A 27 103.14 175.62
REMARK 500 10 CYS A 9 97.96 -34.50
REMARK 500 10 ALA A 24 -78.52 -65.37
REMARK 500 10 ARG A 27 111.44 178.31
REMARK 500 11 ARG A 4 159.03 64.92
REMARK 500 11 GLU A 15 137.13 -32.20
REMARK 500 11 CYS A 22 96.65 -54.94
REMARK 500 11 ALA A 24 -76.63 -74.42
REMARK 500
REMARK 500 THIS ENTRY HAS 74 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 4 0.32 SIDE CHAIN
REMARK 500 1 ARG A 8 0.27 SIDE CHAIN
REMARK 500 1 ARG A 20 0.28 SIDE CHAIN
REMARK 500 1 ARG A 23 0.18 SIDE CHAIN
REMARK 500 1 ARG A 26 0.31 SIDE CHAIN
REMARK 500 1 ARG A 27 0.31 SIDE CHAIN
REMARK 500 2 ARG A 4 0.23 SIDE CHAIN
REMARK 500 2 ARG A 8 0.31 SIDE CHAIN
REMARK 500 2 ARG A 20 0.20 SIDE CHAIN
REMARK 500 2 ARG A 23 0.21 SIDE CHAIN
REMARK 500 2 ARG A 26 0.31 SIDE CHAIN
REMARK 500 2 ARG A 27 0.18 SIDE CHAIN
REMARK 500 3 ARG A 8 0.27 SIDE CHAIN
REMARK 500 3 ARG A 20 0.18 SIDE CHAIN
REMARK 500 3 ARG A 26 0.28 SIDE CHAIN
REMARK 500 3 ARG A 27 0.25 SIDE CHAIN
REMARK 500 4 ARG A 4 0.20 SIDE CHAIN
REMARK 500 4 ARG A 8 0.27 SIDE CHAIN
REMARK 500 4 ARG A 20 0.20 SIDE CHAIN
REMARK 500 4 ARG A 26 0.32 SIDE CHAIN
REMARK 500 4 ARG A 27 0.15 SIDE CHAIN
REMARK 500 5 ARG A 8 0.28 SIDE CHAIN
REMARK 500 5 ARG A 20 0.29 SIDE CHAIN
REMARK 500 5 ARG A 23 0.24 SIDE CHAIN
REMARK 500 5 ARG A 27 0.09 SIDE CHAIN
REMARK 500 6 ARG A 4 0.25 SIDE CHAIN
REMARK 500 6 ARG A 8 0.31 SIDE CHAIN
REMARK 500 6 ARG A 20 0.18 SIDE CHAIN
REMARK 500 6 ARG A 23 0.27 SIDE CHAIN
REMARK 500 6 ARG A 27 0.22 SIDE CHAIN
REMARK 500 7 ARG A 4 0.20 SIDE CHAIN
REMARK 500 7 ARG A 8 0.29 SIDE CHAIN
REMARK 500 7 ARG A 20 0.21 SIDE CHAIN
REMARK 500 7 ARG A 23 0.31 SIDE CHAIN
REMARK 500 7 ARG A 26 0.11 SIDE CHAIN
REMARK 500 7 ARG A 27 0.22 SIDE CHAIN
REMARK 500 8 ARG A 4 0.11 SIDE CHAIN
REMARK 500 8 ARG A 8 0.21 SIDE CHAIN
REMARK 500 8 ARG A 20 0.22 SIDE CHAIN
REMARK 500 8 ARG A 23 0.27 SIDE CHAIN
REMARK 500 8 ARG A 27 0.32 SIDE CHAIN
REMARK 500 9 ARG A 4 0.30 SIDE CHAIN
REMARK 500 9 ARG A 8 0.23 SIDE CHAIN
REMARK 500 9 ARG A 20 0.22 SIDE CHAIN
REMARK 500 9 ARG A 23 0.32 SIDE CHAIN
REMARK 500 9 ARG A 26 0.12 SIDE CHAIN
REMARK 500 9 ARG A 27 0.32 SIDE CHAIN
REMARK 500 10 ARG A 4 0.27 SIDE CHAIN
REMARK 500 10 ARG A 8 0.32 SIDE CHAIN
REMARK 500 10 ARG A 20 0.30 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 81 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN A 30 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 CYS A 9 SG
REMARK 620 2 CYS A 12 SG 86.9
REMARK 620 3 HIS A 17 CE1 96.3 174.7
REMARK 620 4 HIS A 17 NE2 69.3 144.0 41.3
REMARK 620 5 CYS A 22 SG 68.4 91.2 93.9 55.5
REMARK 620 N 1 2 3 4
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: ZNB
REMARK 800 EVIDENCE_CODE: UNKNOWN
REMARK 800 SITE_DESCRIPTION: CCHC ZINC FINGER.
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 30
DBREF 1NC8 A 1 29 UNP P18042 POL_HV2G1 384 412
SEQRES 1 A 29 ALA GLN GLN ARG LYS VAL ILE ARG CYS TRP ASN CYS GLY
SEQRES 2 A 29 LYS GLU GLY HIS SER ALA ARG GLN CYS ARG ALA PRO ARG
SEQRES 3 A 29 ARG GLN GLY
HET ZN A 30 1
HETNAM ZN ZINC ION
FORMUL 2 ZN ZN 2+
HELIX 1 1 ALA A 19 GLN A 21 5 3
SSBOND 1 CYS A 9 CYS A 22 1555 1555 2.59
LINK SG CYS A 9 ZN ZN A 30 1555 1555 2.30
LINK SG CYS A 12 ZN ZN A 30 1555 1555 2.30
LINK CE1 HIS A 17 ZN ZN A 30 1555 1555 1.72
LINK NE2 HIS A 17 ZN ZN A 30 1555 1555 2.00
LINK SG CYS A 22 ZN ZN A 30 1555 1555 2.30
SITE 1 ZNB 14 CYS A 9 TRP A 10 ASN A 11 CYS A 12
SITE 2 ZNB 14 GLY A 13 LYS A 14 GLU A 15 GLY A 16
SITE 3 ZNB 14 HIS A 17 SER A 18 ALA A 19 ARG A 20
SITE 4 ZNB 14 GLN A 21 CYS A 22
SITE 1 AC1 5 CYS A 9 CYS A 12 LYS A 14 HIS A 17
SITE 2 AC1 5 CYS A 22
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 - 23 20 Bytes