Header list of 1pbr.pdb file
Complete list - 29 20 Bytes
HEADER RNA 12-SEP-96 1PBR
TITLE STRUCTURE OF 16S RIBOSOMAL RNA, NMR, MINIMIZED AVERAGE STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 16S RIBOSOMAL RNA;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: NTS 1404/1412-1488/1497
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS AMINOGLYCOSIDE, RIBOSOMAL RNA, RNA TRANSCRIPT, ANTIBIOTIC,
KEYWDS 2 RIBONUCLEIC ACID, RNA
EXPDTA SOLUTION NMR
AUTHOR D.FOURMY,M.I.RECHT,S.BLANCHARD,J.D.PUGLISI
REVDAT 4 29-JUL-20 1PBR 1 COMPND REMARK HETNAM LINK
REVDAT 4 2 1 SITE ATOM
REVDAT 3 16-JAN-13 1PBR 1 HET HETATM HETNAM LINK
REVDAT 3 2 1 REMARK VERSN
REVDAT 2 24-FEB-09 1PBR 1 VERSN
REVDAT 1 17-SEP-97 1PBR 0
JRNL AUTH D.FOURMY,M.I.RECHT,S.C.BLANCHARD,J.D.PUGLISI
JRNL TITL STRUCTURE OF THE A SITE OF ESCHERICHIA COLI 16S RIBOSOMAL
JRNL TITL 2 RNA COMPLEXED WITH AN AMINOGLYCOSIDE ANTIBIOTIC.
JRNL REF SCIENCE V. 274 1367 1996
JRNL REFN ISSN 0036-8075
JRNL PMID 8910275
JRNL DOI 10.1126/SCIENCE.274.5291.1367
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DISCOVER
REMARK 3 AUTHORS : BIOSYM
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1PBR 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_1000175593.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 308
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: 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: MONOMERIC
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: 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 A 1 N1 G A 1 C2 0.099
REMARK 500 G A 1 N3 G A 1 C4 0.101
REMARK 500 G A 1 C4 G A 1 C5 0.061
REMARK 500 G A 1 C5 G A 1 C6 0.129
REMARK 500 G A 1 N7 G A 1 C8 0.070
REMARK 500 G A 1 C2 G A 1 N2 0.065
REMARK 500 G A 2 N1 G A 2 C2 0.087
REMARK 500 G A 2 N3 G A 2 C4 0.099
REMARK 500 G A 2 C4 G A 2 C5 0.059
REMARK 500 G A 2 C5 G A 2 C6 0.129
REMARK 500 G A 2 N7 G A 2 C8 0.071
REMARK 500 C A 3 C4 C A 3 N4 0.070
REMARK 500 C A 3 N1 C A 3 C6 0.133
REMARK 500 C A 3 C2 C A 3 N3 0.110
REMARK 500 C A 3 C4 C A 3 C5 -0.054
REMARK 500 G A 4 N1 G A 4 C2 0.099
REMARK 500 G A 4 N3 G A 4 C4 0.095
REMARK 500 G A 4 C4 G A 4 C5 0.058
REMARK 500 G A 4 C5 G A 4 C6 0.130
REMARK 500 G A 4 N7 G A 4 C8 0.073
REMARK 500 U A 5 N1 U A 5 C6 0.117
REMARK 500 U A 5 C4 U A 5 C5 0.112
REMARK 500 C A 6 C4 C A 6 N4 0.070
REMARK 500 C A 6 N1 C A 6 C6 0.129
REMARK 500 C A 6 C2 C A 6 N3 0.111
REMARK 500 C A 6 C4 C A 6 C5 -0.054
REMARK 500 A A 7 N3 A A 7 C4 0.122
REMARK 500 A A 7 C4 A A 7 C5 0.079
REMARK 500 A A 7 N7 A A 7 C8 0.072
REMARK 500 C A 8 C4 C A 8 N4 0.075
REMARK 500 C A 8 N1 C A 8 C6 0.136
REMARK 500 C A 8 C2 C A 8 N3 0.109
REMARK 500 C A 8 C4 C A 8 C5 -0.056
REMARK 500 A A 9 N3 A A 9 C4 0.122
REMARK 500 A A 9 C4 A A 9 C5 0.075
REMARK 500 A A 9 N7 A A 9 C8 0.068
REMARK 500 C A 10 C4 C A 10 N4 0.076
REMARK 500 C A 10 N1 C A 10 C6 0.133
REMARK 500 C A 10 C2 C A 10 N3 0.113
REMARK 500 C A 10 C4 C A 10 C5 -0.054
REMARK 500 C A 11 C4 C A 11 N4 0.071
REMARK 500 C A 11 N1 C A 11 C6 0.131
REMARK 500 C A 11 C2 C A 11 N3 0.108
REMARK 500 C A 11 C4 C A 11 C5 -0.053
REMARK 500 U A 12 N1 U A 12 C6 0.095
REMARK 500 U A 12 C4 U A 12 C5 0.119
REMARK 500 U A 13 N1 U A 13 C6 0.097
REMARK 500 U A 13 C4 U A 13 C5 0.121
REMARK 500 C A 14 C4 C A 14 N4 0.078
REMARK 500 C A 14 N1 C A 14 C6 0.106
REMARK 500
REMARK 500 THIS ENTRY HAS 107 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 A 1 OP1 - P - OP2 ANGL. DEV. = -10.2 DEGREES
REMARK 500 G A 1 C2 - N3 - C4 ANGL. DEV. = 11.2 DEGREES
REMARK 500 G A 1 N3 - C4 - C5 ANGL. DEV. = -11.2 DEGREES
REMARK 500 G A 1 C5 - C6 - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 G A 1 C4 - C5 - N7 ANGL. DEV. = 2.6 DEGREES
REMARK 500 G A 1 C5 - N7 - C8 ANGL. DEV. = -7.1 DEGREES
REMARK 500 G A 1 N7 - C8 - N9 ANGL. DEV. = 8.9 DEGREES
REMARK 500 G A 1 C8 - N9 - C4 ANGL. DEV. = -7.0 DEGREES
REMARK 500 G A 1 N9 - C4 - C5 ANGL. DEV. = 2.6 DEGREES
REMARK 500 G A 1 N3 - C4 - N9 ANGL. DEV. = 8.6 DEGREES
REMARK 500 G A 1 C6 - C5 - N7 ANGL. DEV. = -4.1 DEGREES
REMARK 500 G A 1 C5 - C6 - O6 ANGL. DEV. = -4.5 DEGREES
REMARK 500 G A 2 OP1 - P - OP2 ANGL. DEV. = -10.6 DEGREES
REMARK 500 G A 2 C2 - N3 - C4 ANGL. DEV. = 11.0 DEGREES
REMARK 500 G A 2 N3 - C4 - C5 ANGL. DEV. = -11.1 DEGREES
REMARK 500 G A 2 C5 - C6 - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 G A 2 C4 - C5 - N7 ANGL. DEV. = 2.6 DEGREES
REMARK 500 G A 2 C5 - N7 - C8 ANGL. DEV. = -7.2 DEGREES
REMARK 500 G A 2 N7 - C8 - N9 ANGL. DEV. = 8.8 DEGREES
REMARK 500 G A 2 C8 - N9 - C4 ANGL. DEV. = -7.0 DEGREES
REMARK 500 G A 2 N9 - C4 - C5 ANGL. DEV. = 2.7 DEGREES
REMARK 500 G A 2 N3 - C4 - N9 ANGL. DEV. = 8.4 DEGREES
REMARK 500 G A 2 C6 - C5 - N7 ANGL. DEV. = -3.8 DEGREES
REMARK 500 G A 2 C5 - C6 - O6 ANGL. DEV. = -5.2 DEGREES
REMARK 500 C A 3 OP1 - P - OP2 ANGL. DEV. = -10.5 DEGREES
REMARK 500 C A 3 C6 - N1 - C2 ANGL. DEV. = -3.2 DEGREES
REMARK 500 C A 3 C4 - C5 - C6 ANGL. DEV. = 3.6 DEGREES
REMARK 500 G A 4 OP1 - P - OP2 ANGL. DEV. = -10.7 DEGREES
REMARK 500 G A 4 C2 - N3 - C4 ANGL. DEV. = 11.2 DEGREES
REMARK 500 G A 4 N3 - C4 - C5 ANGL. DEV. = -10.8 DEGREES
REMARK 500 G A 4 C5 - C6 - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 G A 4 C4 - C5 - N7 ANGL. DEV. = 2.5 DEGREES
REMARK 500 G A 4 C5 - N7 - C8 ANGL. DEV. = -7.2 DEGREES
REMARK 500 G A 4 N7 - C8 - N9 ANGL. DEV. = 8.8 DEGREES
REMARK 500 G A 4 C8 - N9 - C4 ANGL. DEV. = -7.0 DEGREES
REMARK 500 G A 4 N9 - C4 - C5 ANGL. DEV. = 3.0 DEGREES
REMARK 500 G A 4 N3 - C4 - N9 ANGL. DEV. = 7.8 DEGREES
REMARK 500 G A 4 C6 - C5 - N7 ANGL. DEV. = -3.6 DEGREES
REMARK 500 G A 4 C5 - C6 - O6 ANGL. DEV. = -4.3 DEGREES
REMARK 500 U A 5 OP1 - P - OP2 ANGL. DEV. = -10.8 DEGREES
REMARK 500 U A 5 O4' - C1' - N1 ANGL. DEV. = 5.4 DEGREES
REMARK 500 U A 5 N1 - C2 - N3 ANGL. DEV. = 5.8 DEGREES
REMARK 500 U A 5 C5 - C6 - N1 ANGL. DEV. = -3.2 DEGREES
REMARK 500 U A 5 N3 - C2 - O2 ANGL. DEV. = -5.4 DEGREES
REMARK 500 U A 5 C5 - C4 - O4 ANGL. DEV. = -4.4 DEGREES
REMARK 500 C A 6 OP1 - P - OP2 ANGL. DEV. = -10.7 DEGREES
REMARK 500 C A 6 O4' - C1' - N1 ANGL. DEV. = 5.3 DEGREES
REMARK 500 C A 6 C6 - N1 - C2 ANGL. DEV. = -3.1 DEGREES
REMARK 500 C A 6 C4 - C5 - C6 ANGL. DEV. = 3.6 DEGREES
REMARK 500 A A 7 OP1 - P - OP2 ANGL. DEV. = -10.6 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 189 ANGLE DEVIATIONS.
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 A 15 0.07 SIDE CHAIN
REMARK 500 G A 16 0.08 SIDE CHAIN
REMARK 500 G A 19 0.05 SIDE CHAIN
REMARK 500 A A 20 0.08 SIDE CHAIN
REMARK 500 G A 22 0.09 SIDE CHAIN
REMARK 500 U A 23 0.06 SIDE CHAIN
REMARK 500 C A 27 0.12 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1PBR A 1 27 PDB 1PBR 1PBR 1 27
SEQRES 1 A 27 G G C G U C A C A C C U U
SEQRES 2 A 27 C G G G U G A A G U C G C
SEQRES 3 A 27 C
HET BDR B 1 17
HET IDG B 2 24
HET PA1 A 101 23
HET CYY A 102 23
HETNAM BDR BETA-D-RIBOFURANOSE
HETNAM IDG 2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSE
HETNAM PA1 2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSE
HETNAM CYY 2-DEOXYSTREPTAMINE
FORMUL 2 BDR C5 H10 O5
FORMUL 2 IDG C6 H14 N2 O4
FORMUL 3 PA1 C6 H13 N O5
FORMUL 4 CYY C6 H14 N2 O3
LINK C1 PA1 A 101 O4 CYY A 102 1555 1555 1.45
LINK O5 CYY A 102 C1 BDR B 1 1555 1555 1.46
LINK O3 BDR B 1 C1 IDG B 2 1555 1555 1.45
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 - 29 20 Bytes