Header list of 1kks.pdb file
Complete list - 24 20 Bytes
HEADER RNA 10-DEC-01 1KKS
TITLE STRUCTURE OF THE HISTONE MRNA HAIRPIN REQUIRED FOR CELL CYCLE
TITLE 2 REGULATION OF HISTONE GENE EXPRESSION
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*GP*GP*AP*AP*GP*GP*CP*CP*CP*UP*UP*UP*UP*CP*AP*GP*GP*GP
COMPND 3 *CP*CP*AP*CP*CP*C)-3';
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES;
COMPND 6 OTHER_DETAILS: HISTONE MRNA 3'END HAIRPIN
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS SEQUENCE COMES FROM THE HISTONE H4-12 GENE OF
SOURCE 4 MUS MUSCULUS. IN VITRO TRANSCRIPTION USING T7 RNA POLYMERASE.
KEYWDS RNA HAIRPIN, HISTONE MRNA, RNA PROCESSING, RNA
EXPDTA SOLUTION NMR
NUMMDL 15
AUTHOR K.ZANIER,I.LUYTEN,C.CROMBIE,B.MULLER,D.SCHUEMPERLI,J.P.LINGE,
AUTHOR 2 M.NILGES,M.SATTLER
REVDAT 5 24-JAN-18 1KKS 1 AUTHOR
REVDAT 4 01-FEB-17 1KKS 1 AUTHOR VERSN
REVDAT 3 24-FEB-09 1KKS 1 VERSN
REVDAT 2 01-APR-03 1KKS 1 JRNL
REVDAT 1 13-MAR-02 1KKS 0
JRNL AUTH K.ZANIER,I.LUYTEN,C.CROMBIE,B.MULLER,D.SCHUMPERLI,J.P.LINGE,
JRNL AUTH 2 M.NILGES,M.SATTLER
JRNL TITL STRUCTURE OF THE HISTONE MRNA HAIRPIN REQUIRED FOR CELL
JRNL TITL 2 CYCLE REGULATION OF HISTONE GENE EXPRESSION.
JRNL REF RNA V. 8 29 2002
JRNL REFN ISSN 1355-8382
JRNL PMID 11871659
JRNL DOI 10.1017/S1355838202014061
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, AMBER 6.0
REMARK 3 AUTHORS : BRUKER, GERMANY (XWINNMR), CASE ET AL. (AMBER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 THE STRUCTURES ARE CALCULATED WITH 451 DISTANCE RESTRAINTS, 23
REMARK 3 HYDROGEN BOND RESTRAINTS AND 158 TORSION ANGLE RESTRAINTS.
REMARK 3 THE STRUCTURES WERE CALCULATED IN ARIA/CNS AND REFINED USING AMBER.
REMARK 4
REMARK 4 1KKS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-DEC-01.
REMARK 100 THE DEPOSITION ID IS D_1000015059.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298; 285
REMARK 210 PH : 6.0; 6.0
REMARK 210 IONIC STRENGTH : 10 MM SODIUM PHOSPHATE, 0.1 MM
REMARK 210 EDTA; 10 MM SODIUM PHOSPHATE,
REMARK 210 0.1 MM EDTA
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 MM U-15N/13C 24MER RNA; 1 MM U
REMARK 210 -15N 24MER RNA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C_HMQC-NOESY; 3D_HCCH
REMARK 210 -E.COSY; 3D_HCC-TOCSY-CCH-E.COSY;
REMARK 210 SPIN_ECHO_DIFFERENCE_CT-HSQC;
REMARK 210 HNN-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 1.8, XEASY 1.2, ARIA/CNS
REMARK 210 1.0
REMARK 210 METHOD USED : MOLECULAR DYNAMICS/SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15
REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH
REMARK 210 EXPERIMENTAL NOESY SPECTRUM,
REMARK 210 STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY, STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS, STRUCTURES WITH THE
REMARK 210 LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 8
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING STANDARD HETERONUCLEAR
REMARK 210 TRIPLE RESONANCE EXPERIMENTS
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 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 3 C4 - C5 - C6 ANGL. DEV. = -3.2 DEGREES
REMARK 500 1 A A 3 C5 - C6 - N1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 A A 3 N1 - C6 - N6 ANGL. DEV. = -5.4 DEGREES
REMARK 500 1 A A 4 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 A A 4 N1 - C6 - N6 ANGL. DEV. = -5.3 DEGREES
REMARK 500 1 C A 7 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 C A 7 N3 - C2 - O2 ANGL. DEV. = -4.8 DEGREES
REMARK 500 1 C A 8 C5' - C4' - O4' ANGL. DEV. = 6.9 DEGREES
REMARK 500 1 C A 8 N3 - C2 - O2 ANGL. DEV. = -4.3 DEGREES
REMARK 500 1 C A 9 C5' - C4' - O4' ANGL. DEV. = 5.9 DEGREES
REMARK 500 1 C A 9 N3 - C2 - O2 ANGL. DEV. = -4.5 DEGREES
REMARK 500 1 U A 10 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 1 U A 11 C3' - C2' - C1' ANGL. DEV. = 5.6 DEGREES
REMARK 500 1 U A 12 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 U A 13 O4' - C1' - N1 ANGL. DEV. = 6.3 DEGREES
REMARK 500 1 A A 15 C4 - C5 - C6 ANGL. DEV. = -3.1 DEGREES
REMARK 500 1 A A 15 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 A A 15 N1 - C6 - N6 ANGL. DEV. = -4.8 DEGREES
REMARK 500 1 C A 19 N3 - C2 - O2 ANGL. DEV. = -4.8 DEGREES
REMARK 500 1 C A 20 N3 - C2 - O2 ANGL. DEV. = -4.9 DEGREES
REMARK 500 1 A A 21 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 A A 21 N1 - C6 - N6 ANGL. DEV. = -5.1 DEGREES
REMARK 500 1 C A 22 N3 - C2 - O2 ANGL. DEV. = -4.4 DEGREES
REMARK 500 1 C A 23 N3 - C2 - O2 ANGL. DEV. = -4.8 DEGREES
REMARK 500 2 A A 3 C4 - C5 - C6 ANGL. DEV. = -3.1 DEGREES
REMARK 500 2 A A 3 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 A A 3 N1 - C6 - N6 ANGL. DEV. = -5.5 DEGREES
REMARK 500 2 A A 4 C5 - C6 - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 2 A A 4 N1 - C6 - N6 ANGL. DEV. = -4.9 DEGREES
REMARK 500 2 C A 7 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 C A 7 N3 - C2 - O2 ANGL. DEV. = -4.8 DEGREES
REMARK 500 2 C A 8 C5' - C4' - O4' ANGL. DEV. = 7.2 DEGREES
REMARK 500 2 C A 8 N3 - C2 - O2 ANGL. DEV. = -4.2 DEGREES
REMARK 500 2 C A 9 C5' - C4' - O4' ANGL. DEV. = 5.5 DEGREES
REMARK 500 2 C A 9 N3 - C2 - O2 ANGL. DEV. = -4.4 DEGREES
REMARK 500 2 U A 11 C3' - C2' - C1' ANGL. DEV. = 5.5 DEGREES
REMARK 500 2 U A 12 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 2 C A 14 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES
REMARK 500 2 C A 14 N3 - C2 - O2 ANGL. DEV. = -4.5 DEGREES
REMARK 500 2 A A 15 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 2 A A 15 N1 - C6 - N6 ANGL. DEV. = -4.5 DEGREES
REMARK 500 2 C A 19 N3 - C2 - O2 ANGL. DEV. = -4.7 DEGREES
REMARK 500 2 C A 20 N3 - C2 - O2 ANGL. DEV. = -4.5 DEGREES
REMARK 500 2 A A 21 C4 - C5 - C6 ANGL. DEV. = -3.0 DEGREES
REMARK 500 2 A A 21 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 A A 21 N1 - C6 - N6 ANGL. DEV. = -5.0 DEGREES
REMARK 500 2 C A 23 N3 - C2 - O2 ANGL. DEV. = -4.9 DEGREES
REMARK 500 3 A A 3 O4' - C1' - N9 ANGL. DEV. = 4.3 DEGREES
REMARK 500 3 A A 3 C5 - C6 - N1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 3 A A 3 N1 - C6 - N6 ANGL. DEV. = -5.7 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 365 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 U A 12 0.10 SIDE CHAIN
REMARK 500 1 U A 13 0.08 SIDE CHAIN
REMARK 500 1 A A 15 0.07 SIDE CHAIN
REMARK 500 2 U A 12 0.08 SIDE CHAIN
REMARK 500 3 U A 12 0.10 SIDE CHAIN
REMARK 500 4 G A 1 0.07 SIDE CHAIN
REMARK 500 4 G A 2 0.06 SIDE CHAIN
REMARK 500 4 U A 12 0.10 SIDE CHAIN
REMARK 500 4 U A 13 0.07 SIDE CHAIN
REMARK 500 4 C A 14 0.07 SIDE CHAIN
REMARK 500 4 A A 21 0.06 SIDE CHAIN
REMARK 500 4 C A 24 0.07 SIDE CHAIN
REMARK 500 5 G A 1 0.07 SIDE CHAIN
REMARK 500 5 A A 4 0.08 SIDE CHAIN
REMARK 500 5 U A 12 0.15 SIDE CHAIN
REMARK 500 6 U A 12 0.09 SIDE CHAIN
REMARK 500 6 U A 13 0.07 SIDE CHAIN
REMARK 500 7 U A 12 0.08 SIDE CHAIN
REMARK 500 7 U A 13 0.07 SIDE CHAIN
REMARK 500 7 C A 22 0.06 SIDE CHAIN
REMARK 500 8 U A 12 0.10 SIDE CHAIN
REMARK 500 8 U A 13 0.07 SIDE CHAIN
REMARK 500 8 C A 22 0.12 SIDE CHAIN
REMARK 500 9 U A 12 0.15 SIDE CHAIN
REMARK 500 9 C A 23 0.07 SIDE CHAIN
REMARK 500 10 A A 4 0.09 SIDE CHAIN
REMARK 500 10 U A 10 0.07 SIDE CHAIN
REMARK 500 10 U A 12 0.09 SIDE CHAIN
REMARK 500 10 U A 13 0.08 SIDE CHAIN
REMARK 500 10 C A 24 0.07 SIDE CHAIN
REMARK 500 11 G A 2 0.06 SIDE CHAIN
REMARK 500 11 U A 12 0.09 SIDE CHAIN
REMARK 500 11 C A 20 0.06 SIDE CHAIN
REMARK 500 11 C A 22 0.08 SIDE CHAIN
REMARK 500 12 C A 8 0.06 SIDE CHAIN
REMARK 500 12 U A 12 0.09 SIDE CHAIN
REMARK 500 12 U A 13 0.08 SIDE CHAIN
REMARK 500 12 C A 23 0.08 SIDE CHAIN
REMARK 500 13 U A 10 0.09 SIDE CHAIN
REMARK 500 13 U A 12 0.11 SIDE CHAIN
REMARK 500 13 C A 14 0.09 SIDE CHAIN
REMARK 500 13 C A 24 0.07 SIDE CHAIN
REMARK 500 14 U A 12 0.09 SIDE CHAIN
REMARK 500 14 U A 13 0.06 SIDE CHAIN
REMARK 500 14 C A 14 0.06 SIDE CHAIN
REMARK 500 14 A A 15 0.07 SIDE CHAIN
REMARK 500 14 C A 23 0.09 SIDE CHAIN
REMARK 500 15 U A 12 0.10 SIDE CHAIN
REMARK 500 15 U A 13 0.08 SIDE CHAIN
REMARK 500 15 C A 14 0.06 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1KKS A 1 24 PDB 1KKS 1KKS 1 24
SEQRES 1 A 24 G G A A G G C C C U U U U
SEQRES 2 A 24 C A G G G C C A C C 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 - 24 20 Bytes