Header list of 1g3a.pdb file
Complete list - 23 202 Bytes
HEADER RNA 23-OCT-00 1G3A
TITLE STRUCTURE OF RNA DUPLEXES (CIGCGICG)2
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*CP*(IG)P*CP*GP*(IC)P*G)-3';
COMPND 3 CHAIN: A, B;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: SOLID PHASE PHOSPHORAMIDITE CHEMISTRY
KEYWDS DOUBLE HELIX, RNA
EXPDTA SOLUTION NMR
AUTHOR X.CHEN,R.KIERZEK,D.H.TURNER
REVDAT 3 23-FEB-22 1G3A 1 REMARK LINK
REVDAT 2 24-FEB-09 1G3A 1 VERSN
REVDAT 1 01-AUG-01 1G3A 0
JRNL AUTH X.CHEN,R.KIERZEK,D.H.TURNER
JRNL TITL STABILITY AND STRUCTURE OF RNA DUPLEXES CONTAINING
JRNL TITL 2 ISOGUANOSINE AND ISOCYTIDINE.
JRNL REF J.AM.CHEM.SOC. V. 123 1267 2001
JRNL REFN ISSN 0002-7863
JRNL PMID 11456697
JRNL DOI 10.1021/JA002623I
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 5.1
REMARK 3 AUTHORS : VARIAN
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1G3A COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-NOV-00.
REMARK 100 THE DEPOSITION ID IS D_1000012179.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 3.5 MM RNA OLIGOMER, 10 MM
REMARK 210 PHOSPHATE, PH=7.0, WATER
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA; UNITY
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 95
REMARK 210 METHOD USED : SIMULATED ANNEALING MOLECULAR
REMARK 210 DYNAMICS
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: 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: DIMERIC
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 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 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
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 C A 1 0.10 SIDE CHAIN
REMARK 500 C B 1 0.09 SIDE CHAIN
REMARK 500 G B 4 0.06 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1G3A A 1 6 PDB 1G3A 1G3A 1 6
DBREF 1G3A B 1 6 PDB 1G3A 1G3A 1 6
SEQRES 1 A 6 C IG C G IC G
SEQRES 1 B 6 C IG C G IC G
MODRES 1G3A IG A 2 G ISOGUANOSINE-5'-MONOPHOSPHATE
MODRES 1G3A IC A 5 C ISOCYTIDINE-5'-MONOPHOSPHATE
MODRES 1G3A IG B 2 G ISOGUANOSINE-5'-MONOPHOSPHATE
MODRES 1G3A IC B 5 C ISOCYTIDINE-5'-MONOPHOSPHATE
HET IG A 2 34
HET IC A 5 31
HET IG B 2 34
HET IC B 5 31
HETNAM IG ISOGUANOSINE-5'-MONOPHOSPHATE
HETNAM IC ISOCYTIDINE-5'-MONOPHOSPHATE
FORMUL 1 IG 2(C10 H14 N5 O8 P)
FORMUL 1 IC 2(C9 H14 N3 O8 P)
LINK O3' C A 1 P IG A 2 1555 1555 1.61
LINK O3' IG A 2 P C A 3 1555 1555 1.61
LINK O3' G A 4 P IC A 5 1555 1555 1.62
LINK O3' IC A 5 P G A 6 1555 1555 1.62
LINK O3' C B 1 P IG B 2 1555 1555 1.61
LINK O3' IG B 2 P C B 3 1555 1555 1.61
LINK O3' G B 4 P IC B 5 1555 1555 1.62
LINK O3' IC B 5 P G B 6 1555 1555 1.62
CRYST1 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 - 23 202 Bytes