Header list of 1jwc.pdb file
Complete list - 23 202 Bytes
HEADER RNA 03-SEP-01 1JWC
TITLE NMR SOLUTION STRUCTURE OF THE RNA HAIRPIN BINDING SITE FOR THE HISTONE
TITLE 2 STEM-LOOP BINDING PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*GP*GP*CP*CP*AP*AP*AP*GP*GP*CP*CP*CP*UP*UP*UP*UP*CP*AP
COMPND 3 *GP*GP*GP*CP*CP*AP*CP*CP*CP*A)-3';
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES;
COMPND 6 OTHER_DETAILS: HISTONE MRNA 3' STEM LOOP
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY AT THE 3' END OF THE
SOURCE 4 REPLICATION-DEPENDENT HISTONE MRNAS OF VERTEBRATES. THIS SEQUENCE
SOURCE 5 CORRESPONDS TO THE MOUSE H4-12 GENE.
KEYWDS HAIRPIN, TETRALOOP, 3' STACK, RNA
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR E.S.DEJONG,W.F.MARZLUFF,E.P.NIKONOWICZ
REVDAT 4 23-FEB-22 1JWC 1 REMARK
REVDAT 3 24-FEB-09 1JWC 1 VERSN
REVDAT 2 01-APR-03 1JWC 1 JRNL
REVDAT 1 20-MAR-02 1JWC 0
JRNL AUTH E.S.DEJONG,W.F.MARZLUFF,E.P.NIKONOWICZ
JRNL TITL NMR STRUCTURE AND DYNAMICS OF THE RNA-BINDING SITE FOR THE
JRNL TITL 2 HISTONE MRNA STEM-LOOP BINDING PROTEIN.
JRNL REF RNA V. 8 83 2002
JRNL REFN ISSN 1355-8382
JRNL PMID 11871662
JRNL DOI 10.1017/S1355838202013869
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER, A.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: CALCULATIONS WERE PERFORMED
REMARK 3 USING 232 CONFORMATIONALLY RESTRICTIVE NOE DERIVED DISTANCE
REMARK 3 CONSTRAINTS AND 55 BACKBONE AND 15 RIBOSE TORSION ANGLE
REMARK 3 CONSTRAINTS. BASE PAIR CONSTRAINTS WERE INTRODUCED FOR SIX BASE
REMARK 3 PAIRS USING HEAVY ATOM-HEAVY ATOM CONSTRAINTS. COORDINATES ARE FOR
REMARK 3 THE HAIRPIN DOMAIN ONLY. 5' FLANKING (GGCCAAA) AND 3' FLANKING
REMARK 3 (ACCCA) COORDINATES ARE NOT INCLUDED WITH THIS DEPOSITION. FEW
REMARK 3 CONSTRAINTS WERE OBTAINED FOR THESE VERY DYNAMIC REGIONS AND
REMARK 3 ALTHOUGH THEY WERE INCLUDED AS PART OF THE STRUCTURE CALCULATION,
REMARK 3 THEIR CONFORMATIONS APPEAR TO BE RANDOMLY DISTRIBUTED.
REMARK 4
REMARK 4 1JWC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-SEP-01.
REMARK 100 THE DEPOSITION ID IS D_1000014260.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 301; 278
REMARK 210 PH : 6.8; 6.8
REMARK 210 IONIC STRENGTH : 100 MM; 100 MM
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 2.3 MM U-13C; 20 MM KPI, 20 MM
REMARK 210 KCL, 0.02 MM EDTA; 2.5 MM 15N-
REMARK 210 LABELED; 20 MM KPI, 20 MM KCL,
REMARK 210 0.02 MM EDTA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; 3D_13C-SEPARATED_NOESY;
REMARK 210 3D_15N-SEPARATED_NOESY; DQF-COSY;
REMARK 210 HETCOR
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : AMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 980
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING A VARIETY OF 2D AND 3D
REMARK 210 HOMO- AND HETERO-NUCLEAR NMR METHODS
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 RES C SSSEQI
REMARK 465 G A -6
REMARK 465 G A -5
REMARK 465 C A -4
REMARK 465 C A -3
REMARK 465 A A -2
REMARK 465 A A -1
REMARK 465 A A 0
REMARK 465 A A 17
REMARK 465 C A 18
REMARK 465 C A 19
REMARK 465 C A 20
REMARK 465 A A 21
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 RES CSSEQI ATOMS
REMARK 470 G A 1 P OP1 OP2
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 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 A A 11 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 A A 11 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 G A 12 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G A 12 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 G A 13 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 G A 13 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 G A 14 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G A 14 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1JU7 RELATED DB: PDB
REMARK 900 1JU7 IS THE OVERLAY OF 10 CONVERGED STRUCTURES FROM WHICH THIS
REMARK 900 AVERAGE STRUCTURE WAS PRODUCED.
DBREF 1JWC A -6 21 GB 51308 X13235 573 600
SEQADV 1JWC G A -6 GB 51308 A 573 SEE REMARK 999
SEQADV 1JWC G A -5 GB 51308 A 574 SEE REMARK 999
SEQADV 1JWC C A -3 GB 51308 A 576 SEE REMARK 999
SEQRES 1 A 28 G G C C A A A G G C C C U
SEQRES 2 A 28 U U U C A G G G C C A C C
SEQRES 3 A 28 C A
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
Complete list - 23 202 Bytes