Header list of 1jur.pdb file
Complete list - 23 20 Bytes
HEADER RNA 26-AUG-01 1JUR
TITLE SOLUTION STRUCTURE OF HELIX III IN XENOPUS OOCYTE 5S RRNA.
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*GP*GP*CP*CP*UP*GP*AP*GP*GP*AP*GP*AP*CP*UP*CP*AP*GP*AP
COMPND 3 *AP*GP*CP*C)-3';
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES;
COMPND 6 OTHER_DETAILS: HELIX III DOMAIN OF XENOPUS OOCYTE 5 S RRNA
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE STEM OF THIS HAIRPIN OCCURS NATURALLY IN XENOPUS
SOURCE 4 OOCYTES.
KEYWDS RNA, 5 S RRNA, BULGE
EXPDTA SOLUTION NMR
NUMMDL 9
AUTHOR P.W.HUBER,J.P.RIFE,P.B.MOORE
REVDAT 3 23-FEB-22 1JUR 1 REMARK
REVDAT 2 24-FEB-09 1JUR 1 VERSN
REVDAT 1 16-JAN-02 1JUR 0
JRNL AUTH P.W.HUBER,J.P.RIFE,P.B.MOORE
JRNL TITL THE STRUCTURE OF HELIX III IN XENOPUS OOCYTE 5 S RRNA: AN
JRNL TITL 2 RNA STEM CONTAINING A TWO-NUCLEOTIDE BULGE.
JRNL REF J.MOL.BIOL. V. 312 823 2001
JRNL REFN ISSN 0022-2836
JRNL PMID 11575935
JRNL DOI 10.1006/JMBI.2001.4966
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR, X-PLOR 3.851
REMARK 3 AUTHORS : VARIAN (VNMR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: IN ADDITION TO THE EXPERIMENTALLY
REMARK 3 DERIVED DISTANCE CONSTRAINTS AND DIHEDRAL ANGLE CONSTRAINTS, THE
REMARK 3 STRUCTURES WERE COMPUTED USING 22 NON-EXPERIMENTAL CONSTRAINTS
REMARK 3 TO ENSURE WATSON-CRICK BASE PAIRING AND TETRALOOP FORMATION.
REMARK 4
REMARK 4 1JUR COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-SEP-01.
REMARK 100 THE DEPOSITION ID IS D_1000014205.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 10; 30
REMARK 210 PH : 6.5; 6.5
REMARK 210 IONIC STRENGTH : 100 MM KCL; 100 MM KCL
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 2MM HELIX III HAIRPIN; 5MM
REMARK 210 CACODYLATE BUFFER (PH 6.5); 100
REMARK 210 MM KCL; 2MM HELIX III HAIRPIN;
REMARK 210 5MM CACODYLATE BUFFER (PH 6.5);
REMARK 210 100 MM KCL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY;
REMARK 210 2D_13C_SEPARATED_HMQC; 2D_31P_
REMARK 210 SEPARATED_COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY; UNITYPLUS; INOVA; OMEGA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; GE
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 95, X-PLOR 3.851
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 30
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 9
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY,STRUCTURES
REMARK 210 WITH FAVORABLE NON-BOND ENERGY,
REMARK 210 STRUCTURES WITH THE LOWEST ENERGY
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: 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: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 1 A A 16 C8 A A 16 N9 -0.056
REMARK 500 2 A A 16 C8 A A 16 N9 -0.055
REMARK 500 3 A A 16 C8 A A 16 N9 -0.056
REMARK 500 4 A A 16 C8 A A 16 N9 -0.055
REMARK 500 5 A A 16 C8 A A 16 N9 -0.057
REMARK 500 6 A A 16 C8 A A 16 N9 -0.056
REMARK 500 7 A A 16 C8 A A 16 N9 -0.054
REMARK 500 8 A A 16 C8 A A 16 N9 -0.055
REMARK 500 9 A A 16 C8 A A 16 N9 -0.051
REMARK 500
REMARK 500 REMARK: NULL
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 A A 12 C3' - C2' - C1' ANGL. DEV. = -9.5 DEGREES
REMARK 500 1 A A 12 N9 - C1' - C2' ANGL. DEV. = 7.8 DEGREES
REMARK 500 1 A A 16 O4' - C1' - N9 ANGL. DEV. = 7.2 DEGREES
REMARK 500 1 A A 18 C3' - O3' - P ANGL. DEV. = 9.2 DEGREES
REMARK 500 1 A A 19 O4' - C1' - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 2 A A 12 C3' - C2' - C1' ANGL. DEV. = -9.3 DEGREES
REMARK 500 2 C A 13 C6 - N1 - C2 ANGL. DEV. = -3.4 DEGREES
REMARK 500 2 A A 16 O4' - C1' - N9 ANGL. DEV. = 8.4 DEGREES
REMARK 500 2 G A 17 C5' - C4' - O4' ANGL. DEV. = 6.5 DEGREES
REMARK 500 3 C A 3 C2' - C3' - O3' ANGL. DEV. = 10.9 DEGREES
REMARK 500 3 A A 12 C2' - C3' - O3' ANGL. DEV. = 10.9 DEGREES
REMARK 500 3 A A 12 C3' - C2' - C1' ANGL. DEV. = -9.0 DEGREES
REMARK 500 3 A A 12 N9 - C1' - C2' ANGL. DEV. = 8.7 DEGREES
REMARK 500 3 C A 13 C6 - N1 - C2 ANGL. DEV. = -3.1 DEGREES
REMARK 500 3 A A 16 O4' - C1' - N9 ANGL. DEV. = 8.0 DEGREES
REMARK 500 3 G A 17 O4' - C1' - N9 ANGL. DEV. = 4.3 DEGREES
REMARK 500 4 A A 10 C2' - C3' - O3' ANGL. DEV. = 9.8 DEGREES
REMARK 500 4 A A 12 C3' - C2' - C1' ANGL. DEV. = -9.4 DEGREES
REMARK 500 4 A A 16 O4' - C1' - N9 ANGL. DEV. = 8.2 DEGREES
REMARK 500 5 A A 12 C3' - C2' - C1' ANGL. DEV. = -9.0 DEGREES
REMARK 500 5 A A 12 N9 - C1' - C2' ANGL. DEV. = 7.9 DEGREES
REMARK 500 5 C A 13 C6 - N1 - C2 ANGL. DEV. = -2.5 DEGREES
REMARK 500 5 A A 16 O4' - C1' - N9 ANGL. DEV. = 6.9 DEGREES
REMARK 500 5 A A 16 N7 - C8 - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 5 A A 18 O4' - C1' - N9 ANGL. DEV. = 5.4 DEGREES
REMARK 500 5 A A 19 O4' - C1' - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 6 G A 1 O4' - C1' - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 6 A A 12 C3' - C2' - C1' ANGL. DEV. = -9.5 DEGREES
REMARK 500 6 A A 12 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 6 C A 13 C6 - N1 - C2 ANGL. DEV. = -3.1 DEGREES
REMARK 500 6 A A 16 O4' - C1' - N9 ANGL. DEV. = 7.2 DEGREES
REMARK 500 6 A A 16 N7 - C8 - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 7 A A 12 C2' - C3' - O3' ANGL. DEV. = 9.7 DEGREES
REMARK 500 7 A A 12 C3' - C2' - C1' ANGL. DEV. = -8.9 DEGREES
REMARK 500 7 C A 13 C6 - N1 - C2 ANGL. DEV. = -3.1 DEGREES
REMARK 500 7 A A 16 O4' - C1' - N9 ANGL. DEV. = 7.8 DEGREES
REMARK 500 8 G A 1 C1' - O4' - C4' ANGL. DEV. = -4.6 DEGREES
REMARK 500 8 G A 1 O4' - C1' - N9 ANGL. DEV. = 5.5 DEGREES
REMARK 500 8 A A 12 C3' - C2' - C1' ANGL. DEV. = -8.2 DEGREES
REMARK 500 8 A A 12 N9 - C1' - C2' ANGL. DEV. = 8.0 DEGREES
REMARK 500 8 C A 13 C6 - N1 - C2 ANGL. DEV. = -3.6 DEGREES
REMARK 500 8 A A 16 O4' - C1' - N9 ANGL. DEV. = 8.4 DEGREES
REMARK 500 8 G A 17 O4' - C1' - N9 ANGL. DEV. = 5.4 DEGREES
REMARK 500 9 G A 1 O4' - C1' - N9 ANGL. DEV. = 5.2 DEGREES
REMARK 500 9 C A 4 C6 - N1 - C2 ANGL. DEV. = -2.5 DEGREES
REMARK 500 9 A A 12 C2' - C3' - O3' ANGL. DEV. = 9.7 DEGREES
REMARK 500 9 A A 12 C3' - C2' - C1' ANGL. DEV. = -8.4 DEGREES
REMARK 500 9 A A 12 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 9 U A 14 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 9 A A 16 O4' - C1' - N9 ANGL. DEV. = 7.3 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 1 G A 1 0.08 SIDE CHAIN
REMARK 500 1 C A 3 0.07 SIDE CHAIN
REMARK 500 1 G A 8 0.06 SIDE CHAIN
REMARK 500 1 G A 9 0.10 SIDE CHAIN
REMARK 500 1 A A 10 0.09 SIDE CHAIN
REMARK 500 1 G A 11 0.07 SIDE CHAIN
REMARK 500 1 A A 12 0.12 SIDE CHAIN
REMARK 500 1 C A 13 0.12 SIDE CHAIN
REMARK 500 1 G A 17 0.09 SIDE CHAIN
REMARK 500 1 A A 18 0.09 SIDE CHAIN
REMARK 500 1 G A 20 0.10 SIDE CHAIN
REMARK 500 1 C A 22 0.06 SIDE CHAIN
REMARK 500 2 G A 1 0.08 SIDE CHAIN
REMARK 500 2 G A 9 0.07 SIDE CHAIN
REMARK 500 2 A A 10 0.08 SIDE CHAIN
REMARK 500 2 G A 11 0.07 SIDE CHAIN
REMARK 500 2 A A 12 0.10 SIDE CHAIN
REMARK 500 2 C A 13 0.15 SIDE CHAIN
REMARK 500 2 G A 17 0.08 SIDE CHAIN
REMARK 500 2 A A 19 0.09 SIDE CHAIN
REMARK 500 2 G A 20 0.10 SIDE CHAIN
REMARK 500 3 C A 3 0.08 SIDE CHAIN
REMARK 500 3 A A 7 0.08 SIDE CHAIN
REMARK 500 3 G A 8 0.09 SIDE CHAIN
REMARK 500 3 G A 9 0.08 SIDE CHAIN
REMARK 500 3 A A 10 0.07 SIDE CHAIN
REMARK 500 3 A A 12 0.12 SIDE CHAIN
REMARK 500 3 C A 13 0.19 SIDE CHAIN
REMARK 500 3 G A 17 0.09 SIDE CHAIN
REMARK 500 3 A A 18 0.11 SIDE CHAIN
REMARK 500 3 G A 20 0.12 SIDE CHAIN
REMARK 500 3 C A 22 0.07 SIDE CHAIN
REMARK 500 4 G A 1 0.07 SIDE CHAIN
REMARK 500 4 G A 9 0.09 SIDE CHAIN
REMARK 500 4 A A 10 0.09 SIDE CHAIN
REMARK 500 4 G A 11 0.09 SIDE CHAIN
REMARK 500 4 A A 12 0.09 SIDE CHAIN
REMARK 500 4 C A 13 0.13 SIDE CHAIN
REMARK 500 4 A A 16 0.07 SIDE CHAIN
REMARK 500 4 A A 18 0.13 SIDE CHAIN
REMARK 500 4 G A 20 0.15 SIDE CHAIN
REMARK 500 5 G A 1 0.08 SIDE CHAIN
REMARK 500 5 G A 6 0.08 SIDE CHAIN
REMARK 500 5 A A 7 0.08 SIDE CHAIN
REMARK 500 5 A A 10 0.07 SIDE CHAIN
REMARK 500 5 A A 12 0.07 SIDE CHAIN
REMARK 500 5 C A 13 0.14 SIDE CHAIN
REMARK 500 5 U A 14 0.10 SIDE CHAIN
REMARK 500 5 A A 18 0.14 SIDE CHAIN
REMARK 500 5 A A 19 0.11 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 91 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1JUR A 1 22 PDB 1JUR 1JUR 1 22
SEQRES 1 A 22 G G C C U G A G G A G A C
SEQRES 2 A 22 U C A G A A G C C
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
MODEL 1
Complete list - 23 20 Bytes