Header list of 1efs.pdb file
Complete list - 25 20 Bytes
HEADER DNA-RNA HYBRID 10-FEB-00 1EFS
TITLE CONFORMATION OF A DNA-RNA HYBRID
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA (5'-
COMPND 3 D(*GP*AP*GP*AP*GP*GP*AP*AP*GP*AP*GP*AP*A)-3');
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES;
COMPND 6 MOL_ID: 2;
COMPND 7 MOLECULE: RNA (5'-
COMPND 8 R(*UP*UP*CP*UP*CP*UP*UP*CP*CP*UP*CP*UP*C)-3');
COMPND 9 CHAIN: B;
COMPND 10 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 MOL_ID: 2;
SOURCE 4 SYNTHETIC: YES
KEYWDS RNA-DNA HYBRID DUPLEX, DNA/RNA COMPLEX, DNA-RNA HYBRID
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR V.LARUE,E.HANTZ
REVDAT 4 24-FEB-09 1EFS 1 VERSN
REVDAT 3 01-APR-03 1EFS 1 JRNL
REVDAT 2 27-APR-01 1EFS 3 ATOM JRNL REMARK
REVDAT 1 06-MAR-00 1EFS 0
JRNL AUTH E.HANTZ,V.LARUE,P.LADAM,L.LE MOYEC,C.GOUYETTE,
JRNL AUTH 2 T.HUYNH DINH
JRNL TITL SOLUTION CONFORMATION OF AN RNA--DNA HYBRID DUPLEX
JRNL TITL 2 CONTAINING A PYRIMIDINE RNA STRAND AND A PURINE
JRNL TITL 3 DNA STRAND.
JRNL REF INT.J.BIOL.MACROMOL. V. 28 273 2001
JRNL REFN ISSN 0141-8130
JRNL PMID 11311717
JRNL DOI 10.1016/S0141-8130(01)00123-4
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : IRMA 95
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1EFS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-FEB-00.
REMARK 100 THE RCSB ID CODE IS RCSB010533.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 278; 291
REMARK 210 PH : 7.0; 7.0
REMARK 210 IONIC STRENGTH : 80 MM NACL; 80 MM NACL
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.2MM EACH STRAND; 150MM
REMARK 210 NACL, 0.1 MM EDTA, PH 7, 90%
REMARK 210 H2O,10% D2O; 1.2MM EACH
REMARK 210 STRAND; 150MM NACL, 0.1 MM
REMARK 210 EDTA, PH 7, 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY, REVERSE
REMARK 210 1H-31P COSY, 1H-13C HSQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VNMR 6.1B, FELIX 95, JUMNA 10
REMARK 210 METHOD USED : MOLECULAR MECHANICS DISTANCE
REMARK 210 GEOMETRY MATRIX RELAXATION
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 10
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE
REMARK 210 WITH EXPERIMENTAL NOESY
REMARK 210 SPECTRUM, STRUCTURES WITH THE
REMARK 210 LEAST RESTRAINT VIOLATIONS,
REMARK 210 STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 3
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 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(RES=RESIDUE NAME;
REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 470 MODELS 1-10
REMARK 470 RES CSSEQI ATOMS
REMARK 470 DG A 1 O5'
REMARK 470 U B 26 O5'
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 1 DG A 1 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 1 DA A 2 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 DG A 3 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 DA A 4 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 DG A 5 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 DG A 6 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 DA A 7 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 1 DA A 8 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 DG A 9 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES
REMARK 500 1 DA A 10 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES
REMARK 500 1 DA A 12 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 DA A 13 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DG A 1 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES
REMARK 500 2 DA A 2 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES
REMARK 500 2 DG A 3 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 DA A 4 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES
REMARK 500 2 DG A 5 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 DG A 6 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DA A 7 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 2 DA A 8 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES
REMARK 500 2 DG A 9 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 2 DA A 10 O4' - C1' - C2' ANGL. DEV. = -4.9 DEGREES
REMARK 500 2 DA A 10 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 2 DG A 11 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES
REMARK 500 2 DA A 12 O4' - C1' - N9 ANGL. DEV. = 4.0 DEGREES
REMARK 500 2 DA A 13 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 3 DG A 1 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 3 DA A 2 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 3 DG A 3 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 3 DA A 4 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 3 DG A 5 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 3 DG A 6 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 3 DA A 7 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES
REMARK 500 3 DA A 8 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 3 DG A 9 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES
REMARK 500 3 DA A 10 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES
REMARK 500 3 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES
REMARK 500 3 DA A 12 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 DA A 13 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 4 DG A 1 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 4 DA A 2 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 4 DG A 3 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 4 DA A 4 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 4 DG A 5 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 4 DG A 6 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES
REMARK 500 4 DA A 7 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 4 DA A 8 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 4 DG A 9 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 4 DA A 10 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 131 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1EFS A 1 13 PDB 1EFS 1EFS 1 13
DBREF 1EFS B 26 14 PDB 1EFS 1EFS 26 14
SEQRES 1 A 13 DG DA DG DA DG DG DA DA DG DA DG DA DA
SEQRES 1 B 13 U U C U C U U C C U C U C
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 - 25 20 Bytes