Header list of 1xv0.pdb file
Complete list - r 2 2 Bytes
HEADER RNA 26-OCT-04 1XV0
TITLE SOLUTION NMR STRUCTURE OF RNA INTERNAL LOOP WITH THREE CONSECUTIVE
TITLE 2 SHEARED GA PAIRS IN 5'GGUGGAGGCU/3'PCCGAAGCCG
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*GP*GP*UP*GP*GP*AP*GP*GP*CP*U)-3';
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: 5'-R(*GP*CP*CP*GP*AP*AP*GP*CP*CP*(P5P)-3';
COMPND 7 CHAIN: B;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 MOL_ID: 2;
SOURCE 4 SYNTHETIC: YES
KEYWDS THERMODYNAMICS AND STRUCTURE, BASE STACKING AND HYDROGEN BONDING, 3-
KEYWDS 2 GA MOTIF, RNA
EXPDTA SOLUTION NMR
NUMMDL 33
AUTHOR G.CHEN,B.M.ZNOSKO,S.D.KENNEDY,T.R.KRUGH,D.H.TURNER
REVDAT 5 02-MAR-22 1XV0 1 REMARK LINK
REVDAT 4 24-FEB-09 1XV0 1 VERSN
REVDAT 3 15-MAR-05 1XV0 1 REVDAT
REVDAT 2 07-MAR-05 1XV0 1 JRNL
REVDAT 1 09-NOV-04 1XV0 0
JRNL AUTH G.CHEN,B.M.ZNOSKO,S.D.KENNEDY,T.R.KRUGH,D.H.TURNER
JRNL TITL SOLUTION STRUCTURE OF AN RNA INTERNAL LOOP WITH THREE
JRNL TITL 2 CONSECUTIVE SHEARED GA PAIRS
JRNL REF BIOCHEMISTRY V. 44 2845 2005
JRNL REFN ISSN 0006-2960
JRNL PMID 15723528
JRNL DOI 10.1021/BI048079Y
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DISCOVER
REMARK 3 AUTHORS : MOLECULAR SIMULATIONS INC.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1XV0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-OCT-04.
REMARK 100 THE DEPOSITION ID IS D_1000030794.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303; 273
REMARK 210 PH : 5.9; 5.9
REMARK 210 IONIC STRENGTH : NULL; NULL
REMARK 210 PRESSURE : 1 ATM; 1 ATM
REMARK 210 SAMPLE CONTENTS : 80 MM NACL, 10 MM SODIUM
REMARK 210 PHOSPHATES, 0.5 MM EDTA, PH5.9
REMARK 210 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY; 2D NOESY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 2000, DISCOVER, AMBER
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 40
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 33
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 17
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 1 U A 3 O4' - C1' - N1 ANGL. DEV. = 5.7 DEGREES
REMARK 500 1 C A 9 O4' - C1' - N1 ANGL. DEV. = 5.1 DEGREES
REMARK 500 1 C B 12 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 C B 13 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 C B 19 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 2 G A 2 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 2 U A 3 O4' - C1' - N1 ANGL. DEV. = 5.8 DEGREES
REMARK 500 2 C A 9 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES
REMARK 500 2 C B 12 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 2 C B 13 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES
REMARK 500 2 C B 19 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 3 G A 2 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 3 U A 3 O4' - C1' - N1 ANGL. DEV. = 5.8 DEGREES
REMARK 500 3 C A 9 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES
REMARK 500 3 C B 12 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 3 C B 13 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES
REMARK 500 3 C B 19 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 4 U A 3 O4' - C1' - N1 ANGL. DEV. = 5.6 DEGREES
REMARK 500 4 C A 9 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES
REMARK 500 4 C B 12 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 4 C B 13 O4' - C1' - N1 ANGL. DEV. = 5.1 DEGREES
REMARK 500 5 U A 3 O4' - C1' - N1 ANGL. DEV. = 5.6 DEGREES
REMARK 500 5 C A 9 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES
REMARK 500 5 C B 12 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 5 C B 13 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 6 U A 3 O4' - C1' - N1 ANGL. DEV. = 5.4 DEGREES
REMARK 500 6 C A 9 O4' - C1' - N1 ANGL. DEV. = 5.1 DEGREES
REMARK 500 6 C B 12 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 6 C B 13 O4' - C1' - N1 ANGL. DEV. = 5.5 DEGREES
REMARK 500 6 C B 19 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 7 U A 3 O4' - C1' - N1 ANGL. DEV. = 5.6 DEGREES
REMARK 500 7 C A 9 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES
REMARK 500 7 C B 12 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 7 C B 13 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 8 G A 2 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 8 U A 3 O4' - C1' - N1 ANGL. DEV. = 6.0 DEGREES
REMARK 500 8 C A 9 O4' - C1' - N1 ANGL. DEV. = 5.1 DEGREES
REMARK 500 8 C B 12 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 8 C B 13 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES
REMARK 500 8 C B 19 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 9 U A 3 O4' - C1' - N1 ANGL. DEV. = 5.5 DEGREES
REMARK 500 9 C A 9 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES
REMARK 500 9 C B 12 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 9 C B 13 O4' - C1' - N1 ANGL. DEV. = 5.5 DEGREES
REMARK 500 10 U A 3 O4' - C1' - N1 ANGL. DEV. = 5.3 DEGREES
REMARK 500 10 C A 9 O4' - C1' - N1 ANGL. DEV. = 5.1 DEGREES
REMARK 500 10 C B 12 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 10 C B 13 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES
REMARK 500 11 U A 3 O4' - C1' - N1 ANGL. DEV. = 5.5 DEGREES
REMARK 500 11 C A 9 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 152 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 1 G A 4 0.06 SIDE CHAIN
REMARK 500 1 G A 5 0.06 SIDE CHAIN
REMARK 500 2 G A 5 0.06 SIDE CHAIN
REMARK 500 2 A B 16 0.08 SIDE CHAIN
REMARK 500 3 G A 5 0.06 SIDE CHAIN
REMARK 500 3 A B 16 0.08 SIDE CHAIN
REMARK 500 4 A B 16 0.05 SIDE CHAIN
REMARK 500 5 G A 5 0.06 SIDE CHAIN
REMARK 500 6 G A 5 0.06 SIDE CHAIN
REMARK 500 7 G A 5 0.06 SIDE CHAIN
REMARK 500 7 A B 16 0.08 SIDE CHAIN
REMARK 500 8 A B 16 0.06 SIDE CHAIN
REMARK 500 10 G A 5 0.06 SIDE CHAIN
REMARK 500 10 G B 14 0.07 SIDE CHAIN
REMARK 500 10 A B 16 0.07 SIDE CHAIN
REMARK 500 10 G B 17 0.06 SIDE CHAIN
REMARK 500 11 G A 5 0.09 SIDE CHAIN
REMARK 500 11 A B 16 0.06 SIDE CHAIN
REMARK 500 11 G B 17 0.06 SIDE CHAIN
REMARK 500 13 G A 5 0.06 SIDE CHAIN
REMARK 500 16 A B 16 0.05 SIDE CHAIN
REMARK 500 17 G A 5 0.07 SIDE CHAIN
REMARK 500 17 G B 11 0.06 SIDE CHAIN
REMARK 500 18 A B 16 0.06 SIDE CHAIN
REMARK 500 22 G A 5 0.05 SIDE CHAIN
REMARK 500 22 G B 11 0.06 SIDE CHAIN
REMARK 500 22 A B 15 0.05 SIDE CHAIN
REMARK 500 23 G B 11 0.06 SIDE CHAIN
REMARK 500 23 G B 14 0.06 SIDE CHAIN
REMARK 500 23 A B 16 0.06 SIDE CHAIN
REMARK 500 24 G A 5 0.07 SIDE CHAIN
REMARK 500 24 G B 11 0.06 SIDE CHAIN
REMARK 500 26 G A 5 0.06 SIDE CHAIN
REMARK 500 26 G B 14 0.06 SIDE CHAIN
REMARK 500 26 A B 16 0.07 SIDE CHAIN
REMARK 500 29 G B 11 0.06 SIDE CHAIN
REMARK 500 29 A B 16 0.05 SIDE CHAIN
REMARK 500 30 G A 5 0.08 SIDE CHAIN
REMARK 500 30 G B 14 0.07 SIDE CHAIN
REMARK 500 31 G A 5 0.05 SIDE CHAIN
REMARK 500 31 A B 16 0.06 SIDE CHAIN
REMARK 500 32 G A 5 0.09 SIDE CHAIN
REMARK 500 33 G A 5 0.10 SIDE CHAIN
REMARK 500 33 A B 15 0.06 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1XV0 A 1 10 PDB 1XV0 1XV0 1 10
DBREF 1XV0 B 11 20 PDB 1XV0 1XV0 11 20
SEQRES 1 A 10 G G U G G A G G C U
SEQRES 1 B 10 G C C G A A G C C P5P
MODRES 1XV0 P5P B 20 A PURINE RIBOSIDE-5'-MONOPHOSPHATE
HET P5P B 20 32
HETNAM P5P PURINE RIBOSIDE-5'-MONOPHOSPHATE
FORMUL 2 P5P C10 H13 N4 O7 P
LINK O3' C B 19 P P5P B 20 1555 1555 1.61
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 - r 2 2 Bytes