Header list of 2tob.pdb file
Complete list - 29 20 Bytes
HEADER RNA 17-JUN-98 2TOB
TITLE SOLUTION STRUCTURE OF THE TOBRAMYCIN-RNA APTAMER COMPLEX, NMR, 13
TITLE 2 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA (5'-
COMPND 3 R(*AP*CP*UP*UP*GP*GP*UP*UP*UP*AP*GP*GP*UP*AP*AP*UP*GP*AP*GP*U)-3');
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
SOURCE 4 ORGANISM_TAXID: 32630
KEYWDS AMINOGLYCOSIDE-RNA RECOGNITION, TOBRAMYCIN, RNA
EXPDTA SOLUTION NMR
NUMMDL 13
AUTHOR L.JIANG,D.J.PATEL
REVDAT 4 29-JUL-20 2TOB 1 COMPND REMARK HETNAM SITE
REVDAT 4 2 1 ATOM
REVDAT 3 24-JUN-20 2TOB 1 SOURCE REMARK DBREF LINK
REVDAT 2 24-FEB-09 2TOB 1 VERSN
REVDAT 1 22-JUN-99 2TOB 0
JRNL AUTH L.JIANG,D.J.PATEL
JRNL TITL SOLUTION STRUCTURE OF THE TOBRAMYCIN-RNA APTAMER COMPLEX.
JRNL REF NAT.STRUCT.BIOL. V. 5 769 1998
JRNL REFN ISSN 1072-8368
JRNL PMID 9731769
JRNL DOI 10.1038/1804
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 2TOB 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_1000178692.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.1
REMARK 210 IONIC STRENGTH : 10MM NA(2)HPO(4)
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : D(2)O/H(2)O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; COSY; HMQCNULL
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITYPLUS
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VARIAN VNMR VNMR
REMARK 210 METHOD USED : DISTANCE-RESTRAINED MOLECULAR
REMARK 210 DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 40
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 13
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST NOE AND TOTAL ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: D2O: 2D NOESY (50MS,120MS,200MS,300MS MIXING TIMES), PHASE
REMARK 210 -SENSITIVE COSY, TOCSY, 1H-13C HSQC, 3D NOESY-HMQC (120MS, 300MS
REMARK 210 MIXING TIMES), 3D HCCH-COSY, 3D HCCH-TOCSY (65MS), 2D HP
REMARK 210 CORRELATION, C13 FILTERED NOESY
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 H3 U A 7 O6 G A 20 1.51
REMARK 500 OP2 G A 15 HN21 TOC A 102 1.56
REMARK 500 O6 G A 9 H61 A A 18 1.58
REMARK 500 HO2' A A 17 O4' A A 18 1.59
REMARK 500
REMARK 500 REMARK: NULL
DBREF 2TOB A 4 23 PDB 2TOB 2TOB 4 23
SEQRES 1 A 20 A C U U G G U U U A G G U
SEQRES 2 A 20 A A U G A G U
HET TOA A 100 24
HET TOC A 102 25
HET 2TB A 101 25
HETNAM TOA 3-AMMONIO-3-DEOXY-ALPHA-D-GLUCOPYRANOSE
HETNAM TOC 2,6-DIAMMONIO-2,3,6-TRIDEOXY-ALPHA-D-GLUCOPYRANOSE
HETNAM 2TB 1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANE
FORMUL 2 TOA C6 H14 N O5 1+
FORMUL 3 TOC C6 H16 N2 O3 2+
FORMUL 4 2TB C6 H16 N2 O3 2+
LINK C1 TOA A 100 O6 2TB A 101 1555 1555 1.40
LINK O4 2TB A 101 C1 TOC A 102 1555 1555 1.40
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 - 29 20 Bytes