Header list of 1mnb.pdb file
Complete list - 23 20 Bytes
HEADER VIRAL PROTEIN/RNA 25-JUL-96 1MNB
TITLE BIV TAT PEPTIDE (RESIDUES 68-81), NMR, MINIMIZED AVERAGE STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: BIV TAR RNA;
COMPND 3 CHAIN: B;
COMPND 4 FRAGMENT: RESIDUES 4 - 32;
COMPND 5 ENGINEERED: YES;
COMPND 6 MOL_ID: 2;
COMPND 7 MOLECULE: BIV TAT PEPTIDE;
COMPND 8 CHAIN: A;
COMPND 9 FRAGMENT: RESIDUES 68 - 81;
COMPND 10 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 MOL_ID: 2
KEYWDS COMPLEX (REGULATORY PROTEIN-RNA), TRANSCRIPTION REGULATION, VIRAL
KEYWDS 2 PROTEIN-RNA COMPLEX
EXPDTA SOLUTION NMR
AUTHOR J.D.PUGLISI,L.CHEN,S.BLANCHARD,A.D.FRANKEL
REVDAT 3 23-FEB-22 1MNB 1 REMARK
REVDAT 2 24-FEB-09 1MNB 1 VERSN
REVDAT 1 27-JAN-97 1MNB 0
JRNL AUTH J.D.PUGLISI,L.CHEN,S.BLANCHARD,A.D.FRANKEL
JRNL TITL SOLUTION STRUCTURE OF A BOVINE IMMUNODEFICIENCY VIRUS
JRNL TITL 2 TAT-TAR PEPTIDE-RNA COMPLEX.
JRNL REF SCIENCE V. 270 1200 1995
JRNL REFN ISSN 0036-8075
JRNL PMID 7502045
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRARCHITECT, DISCOVER DISCOVER
REMARK 3 AUTHORS : BIOSYM
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1MNB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000175081.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.4
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 : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: 50 MM NACL 10MM NA PHOSPHATE
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: B, 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 G B 1 N1 G B 1 C2 0.100
REMARK 500 G B 1 N3 G B 1 C4 0.100
REMARK 500 G B 1 C4 G B 1 C5 0.063
REMARK 500 G B 1 C5 G B 1 C6 0.126
REMARK 500 G B 1 N7 G B 1 C8 0.070
REMARK 500 G B 1 C2 G B 1 N2 0.068
REMARK 500 G B 2 N1 G B 2 C2 0.101
REMARK 500 G B 2 N3 G B 2 C4 0.096
REMARK 500 G B 2 C4 G B 2 C5 0.059
REMARK 500 G B 2 C5 G B 2 C6 0.124
REMARK 500 G B 2 N7 G B 2 C8 0.071
REMARK 500 G B 2 C2 G B 2 N2 0.067
REMARK 500 C B 3 C4 C B 3 N4 0.073
REMARK 500 C B 3 N1 C B 3 C6 0.128
REMARK 500 C B 3 C2 C B 3 N3 0.119
REMARK 500 C B 3 C4 C B 3 C5 -0.057
REMARK 500 U B 4 N1 U B 4 C6 0.120
REMARK 500 U B 4 C4 U B 4 C5 0.108
REMARK 500 C B 5 C4 C B 5 N4 0.071
REMARK 500 C B 5 N1 C B 5 C6 0.134
REMARK 500 C B 5 C2 C B 5 N3 0.115
REMARK 500 C B 5 C4 C B 5 C5 -0.058
REMARK 500 G B 6 N1 G B 6 C2 0.103
REMARK 500 G B 6 N3 G B 6 C4 0.096
REMARK 500 G B 6 C4 G B 6 C5 0.059
REMARK 500 G B 6 C5 G B 6 C6 0.126
REMARK 500 G B 6 N7 G B 6 C8 0.068
REMARK 500 G B 6 C2 G B 6 N2 0.061
REMARK 500 U B 7 N1 U B 7 C6 0.115
REMARK 500 U B 7 C4 U B 7 C5 0.117
REMARK 500 G B 8 N1 G B 8 C2 0.099
REMARK 500 G B 8 N3 G B 8 C4 0.101
REMARK 500 G B 8 C4 G B 8 C5 0.060
REMARK 500 G B 8 C5 G B 8 C6 0.126
REMARK 500 G B 8 N7 G B 8 C8 0.066
REMARK 500 G B 8 C2 G B 8 N2 0.069
REMARK 500 U B 9 N1 U B 9 C6 0.117
REMARK 500 U B 9 C4 U B 9 C5 0.119
REMARK 500 A B 10 N3 A B 10 C4 0.122
REMARK 500 A B 10 C4 A B 10 C5 0.078
REMARK 500 A B 10 N7 A B 10 C8 0.068
REMARK 500 G B 11 N1 G B 11 C2 0.101
REMARK 500 G B 11 N3 G B 11 C4 0.096
REMARK 500 G B 11 C4 G B 11 C5 0.058
REMARK 500 G B 11 C5 G B 11 C6 0.127
REMARK 500 G B 11 N7 G B 11 C8 0.076
REMARK 500 G B 11 C2 G B 11 N2 0.068
REMARK 500 C B 12 C4 C B 12 N4 0.076
REMARK 500 C B 12 N1 C B 12 C6 0.134
REMARK 500 C B 12 C2 C B 12 N3 0.114
REMARK 500
REMARK 500 THIS ENTRY HAS 110 BOND DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
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,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
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 ATM2 ATM3
REMARK 500 G B 1 OP1 - P - OP2 ANGL. DEV. = -10.2 DEGREES
REMARK 500 G B 1 C2 - N3 - C4 ANGL. DEV. = 11.2 DEGREES
REMARK 500 G B 1 N3 - C4 - C5 ANGL. DEV. = -11.2 DEGREES
REMARK 500 G B 1 C5 - C6 - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 G B 1 C4 - C5 - N7 ANGL. DEV. = 2.5 DEGREES
REMARK 500 G B 1 C5 - N7 - C8 ANGL. DEV. = -7.0 DEGREES
REMARK 500 G B 1 N7 - C8 - N9 ANGL. DEV. = 9.0 DEGREES
REMARK 500 G B 1 C8 - N9 - C4 ANGL. DEV. = -7.2 DEGREES
REMARK 500 G B 1 N9 - C4 - C5 ANGL. DEV. = 2.6 DEGREES
REMARK 500 G B 1 N3 - C4 - N9 ANGL. DEV. = 8.6 DEGREES
REMARK 500 G B 1 C6 - C5 - N7 ANGL. DEV. = -4.1 DEGREES
REMARK 500 G B 1 C5 - C6 - O6 ANGL. DEV. = -4.9 DEGREES
REMARK 500 G B 2 OP1 - P - OP2 ANGL. DEV. = -10.6 DEGREES
REMARK 500 G B 2 C2 - N3 - C4 ANGL. DEV. = 11.2 DEGREES
REMARK 500 G B 2 N3 - C4 - C5 ANGL. DEV. = -11.0 DEGREES
REMARK 500 G B 2 C5 - C6 - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 G B 2 C5 - N7 - C8 ANGL. DEV. = -7.2 DEGREES
REMARK 500 G B 2 N7 - C8 - N9 ANGL. DEV. = 9.0 DEGREES
REMARK 500 G B 2 C8 - N9 - C4 ANGL. DEV. = -7.2 DEGREES
REMARK 500 G B 2 N9 - C4 - C5 ANGL. DEV. = 3.0 DEGREES
REMARK 500 G B 2 N3 - C4 - N9 ANGL. DEV. = 8.0 DEGREES
REMARK 500 G B 2 C6 - C5 - N7 ANGL. DEV. = -3.9 DEGREES
REMARK 500 G B 2 C5 - C6 - O6 ANGL. DEV. = -5.2 DEGREES
REMARK 500 C B 3 OP1 - P - OP2 ANGL. DEV. = -10.6 DEGREES
REMARK 500 C B 3 C6 - N1 - C2 ANGL. DEV. = -3.5 DEGREES
REMARK 500 C B 3 C4 - C5 - C6 ANGL. DEV. = 3.6 DEGREES
REMARK 500 U B 4 OP1 - P - OP2 ANGL. DEV. = -10.6 DEGREES
REMARK 500 U B 4 N1 - C2 - N3 ANGL. DEV. = 5.7 DEGREES
REMARK 500 U B 4 N3 - C2 - O2 ANGL. DEV. = -5.7 DEGREES
REMARK 500 U B 4 C5 - C4 - O4 ANGL. DEV. = -4.6 DEGREES
REMARK 500 C B 5 OP1 - P - OP2 ANGL. DEV. = -10.6 DEGREES
REMARK 500 C B 5 C6 - N1 - C2 ANGL. DEV. = -3.4 DEGREES
REMARK 500 C B 5 C4 - C5 - C6 ANGL. DEV. = 3.4 DEGREES
REMARK 500 G B 6 OP1 - P - OP2 ANGL. DEV. = -10.8 DEGREES
REMARK 500 G B 6 C2 - N3 - C4 ANGL. DEV. = 11.1 DEGREES
REMARK 500 G B 6 N3 - C4 - C5 ANGL. DEV. = -11.0 DEGREES
REMARK 500 G B 6 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 G B 6 C4 - C5 - N7 ANGL. DEV. = 2.6 DEGREES
REMARK 500 G B 6 C5 - N7 - C8 ANGL. DEV. = -7.2 DEGREES
REMARK 500 G B 6 N7 - C8 - N9 ANGL. DEV. = 9.0 DEGREES
REMARK 500 G B 6 C8 - N9 - C4 ANGL. DEV. = -7.1 DEGREES
REMARK 500 G B 6 N9 - C4 - C5 ANGL. DEV. = 2.8 DEGREES
REMARK 500 G B 6 N3 - C4 - N9 ANGL. DEV. = 8.2 DEGREES
REMARK 500 G B 6 C6 - C5 - N7 ANGL. DEV. = -3.9 DEGREES
REMARK 500 G B 6 C5 - C6 - O6 ANGL. DEV. = -4.5 DEGREES
REMARK 500 U B 7 OP1 - P - OP2 ANGL. DEV. = -10.3 DEGREES
REMARK 500 U B 7 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 U B 7 N1 - C2 - N3 ANGL. DEV. = 5.6 DEGREES
REMARK 500 U B 7 C5 - C6 - N1 ANGL. DEV. = -3.0 DEGREES
REMARK 500 U B 7 N3 - C2 - O2 ANGL. DEV. = -5.1 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 190 ANGLE 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 PRO A 2 -167.70 -75.42
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 G B 2 0.08 SIDE CHAIN
REMARK 500 U B 7 0.07 SIDE CHAIN
REMARK 500 A B 10 0.08 SIDE CHAIN
REMARK 500 C B 14 0.12 SIDE CHAIN
REMARK 500 U B 16 0.08 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1MNB A 1 14 UNP P19564 TAT_BIV06 68 81
DBREF 1MNB B 1 28 PDB 1MNB 1MNB 1 28
SEQRES 1 B 28 G G C U C G U G U A G C U
SEQRES 2 B 28 C A U U A G C U C C G A G
SEQRES 3 B 28 C C
SEQRES 1 A 14 ARG PRO ARG GLY THR ARG GLY LYS GLY ARG ARG ILE ARG
SEQRES 2 A 14 ARG
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
Complete list - 23 20 Bytes