Header list of 1c4l.pdb file
Complete list - 16 202 Bytes
HEADER RNA 30-AUG-99 1C4L
TITLE SOLUTION STRUCTURE OF AN RNA DUPLEX INCLUDING A C-U BASE-PAIR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA (5'-R(*CP*GP*AP*CP*UP*CP*AP*GP*G)-3');
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: RNA (5'-R(*CP*CP*UP*GP*CP*GP*UP*CP*G)-3');
COMPND 7 CHAIN: B;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS OLIGONUCLEOTIDE WAS CHEMICALLY SYNTHESIZED
SOURCE 4 (PHOSPHORAMIDITE METHOD).;
SOURCE 5 MOL_ID: 2;
SOURCE 6 SYNTHETIC: YES;
SOURCE 7 OTHER_DETAILS: THIS OLIGONUCLEOTIDE WAS CHEMICALLY SYNTHESIZED
SOURCE 8 (PHOSPHORAMIDITE METHOD).
KEYWDS C-U BASE PAIR, RNA
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR Y.TANAKA,C.KOJIMA,T.YAMAZAKI,T.S.KODAMA,K.YASUNO,S.MIYASHITA,A.M.ONO,
AUTHOR 2 A.S.ONO,M.KAINOSHO,Y.KYOGOKU
REVDAT 4 16-FEB-22 1C4L 1 REMARK
REVDAT 3 24-FEB-09 1C4L 1 VERSN
REVDAT 2 01-APR-03 1C4L 1 JRNL
REVDAT 1 09-AUG-00 1C4L 0
JRNL AUTH Y.TANAKA,C.KOJIMA,T.YAMAZAKI,T.S.KODAMA,K.YASUNO,
JRNL AUTH 2 S.MIYASHITA,A.ONO,A.ONO,M.KAINOSHO,Y.KYOGOKU
JRNL TITL SOLUTION STRUCTURE OF AN RNA DUPLEX INCLUDING A C-U BASE
JRNL TITL 2 PAIR.
JRNL REF BIOCHEMISTRY V. 39 7074 2000
JRNL REFN ISSN 0006-2960
JRNL PMID 10852704
JRNL DOI 10.1021/BI000018M
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH Y.TANAKA,C.KOJIMA,T.YAMAZAKI,Y.KYOGOKU,S.MIYASHITA,A.S.ONO,
REMARK 1 AUTH 2 M.KAINOSHO
REMARK 1 TITL STRUCTURE MODEL AND PHYSICOCHEMICAL PROPERTIES OF THE C-U
REMARK 1 TITL 2 MISMATCH PAIR IN THE DOUBLE STRANDED RNA IN SOLUTION
REMARK 1 REF NUCLEIC ACIDS SYMP.SER. V. 37 271 1997
REMARK 1 REFN ISSN 0261-3166
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851, X-PLOR 3.8.1
REMARK 3 AUTHORS : BRUNGER (X-PLOR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 DISTANCE CONSTRAINTS (NOE 433, HYDROGEN BOND (BASE-PAIR) 54),
REMARK 3 DIHEDRAL ANGLE
REMARK 3 CONSTRAINTS 45
REMARK 4
REMARK 4 1C4L COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-AUG-99.
REMARK 100 THE DEPOSITION ID IS D_1000001298.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 300; 278
REMARK 210 PH : 7.0; 7.0
REMARK 210 IONIC STRENGTH : 50MM(NACL); 50MM(NACL)
REMARK 210 PRESSURE : 1 ATM; 1 ATM
REMARK 210 SAMPLE CONTENTS : R[CGACUCAGG]_R[CCUG(15N4)CGUCG]
REMARK 210 (AMINO-NITROGEN OF CYTIDINE IS
REMARK 210 POINT-LABELED (> 95%));
REMARK 210 R[CGACUCAGG]_R[CCUG(15N4)CGUCG]
REMARK 210 (AMINO-NITROGEN OF CYTIDINE IS
REMARK 210 POINT-LABELED (> 95%))
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D_1H_NOESY; 2D_PCOSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX; ARX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR 3.851, X-PLOR 3.8.1
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : SUMMATION OF TOTAL ENERGY
REMARK 210 (COVALENT GEOMETRY, NON-BOND
REMARK 210 ENERGY, DISTANCE AND DIHEDRAL
REMARK 210 ANGLE CONSTRAINTS)
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES
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 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 A A 3 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 A A 7 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 A A 7 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 G A 8 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 G A 8 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 G B 13 N7 - C8 - N9 ANGL. DEV. = 4.3 DEGREES
REMARK 500 G B 13 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 G B 15 N7 - C8 - N9 ANGL. DEV. = 4.1 DEGREES
REMARK 500 G B 15 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 G B 18 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G B 18 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1C4L A 1 9 PDB 1C4L 1C4L 1 9
DBREF 1C4L B 10 18 PDB 1C4L 1C4L 10 18
SEQRES 1 A 9 C G A C U C A G G
SEQRES 1 B 9 C C U G C G U C G
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 - 16 202 Bytes