Header list of 1qwa.pdb file
Complete list - 7 20 Bytes
HEADER RNA 01-SEP-03 1QWA
TITLE NMR STRUCTURE OF 5'-R(GGAUGCCUCCCGAGUGCAUCC): AN RNA HAIRPIN DERIVED
TITLE 2 FROM THE MOUSE 5'ETS THAT BINDS NUCLEOLIN RBD12.
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 18S RIBOSOMAL RNA, 5'ETS;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: B2NRE;
COMPND 5 ENGINEERED: YES;
COMPND 6 OTHER_DETAILS: B2: A RNA HAIRPIN DERIVED FROM NTS 394-410 OF THE
COMPND 7 MOUSE 5' ETS.
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 OTHER_DETAILS: THE RNA WAS CHEMICALLY SYNTHESIZED IN VITRO USING T7
SOURCE 6 RNA POLYMERASE AND SYNTHETIC DNA TEMPLATES. THE SEQUENCE OF THE RNA
SOURCE 7 IS NATURALLY FOUND IN MUS MUSCULUS (MOUSE).
KEYWDS TETRALOOP, UNCG, UUCG, YNMG, BULGED NUCLEOTIDE, HAIRPIN, A-FORM
KEYWDS 2 HELIX, RNA
EXPDTA SOLUTION NMR
NUMMDL 17
AUTHOR L.D.FINGER,L.TRANTIREK,C.JOHANSSON,J.FEIGON
REVDAT 4 07-APR-21 1QWA 1 SOURCE REMARK DBREF SEQADV
REVDAT 4 2 1 HET HETNAM FORMUL
REVDAT 3 01-FEB-12 1QWA 1 REMARK
REVDAT 2 24-FEB-09 1QWA 1 VERSN
REVDAT 1 25-NOV-03 1QWA 0
JRNL AUTH L.D.FINGER,L.TRANTIREK,C.JOHANSSON,J.FEIGON
JRNL TITL SOLUTION STRUCUTRES OF STEM-LOOP RNAS THAT BIND TO THE TWO
JRNL TITL 2 N-TERMINAL RNA BINDING DOMAINS OF NUCLEOLIN
JRNL REF NUCLEIC ACIDS RES. V. 31 6461 2003
JRNL REFN ISSN 0305-1048
JRNL PMID 14602904
JRNL DOI 10.1093/NAR/GKG866
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, X-PLOR NIH
REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1QWA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-SEP-03.
REMARK 100 THE DEPOSITION ID IS D_1000020146.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 278; 298
REMARK 210 PH : 7; 7
REMARK 210 IONIC STRENGTH : 5MM POTASSIUM PHOSPHATE; 5MM
REMARK 210 POTASSIUM PHOSPHATE
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1-1.5MM B2 NA, IN 5MM POTASSIUM
REMARK 210 PHOSPHATE BUFFER, 50UM EDTA,
REMARK 210 0.02% NAN3 95% H2O, 5% D2O; 1-
REMARK 210 1.5MM B2 NA, IN 5MM POTASSIUM
REMARK 210 PHOSPHATE BUFFER, 50UM EDTA,
REMARK 210 0.02% NAN3, 99.999% D2O; 1MM B2
REMARK 210 U 15N/13C, IN 5MM POTASSIUM
REMARK 210 PHOSPHATE BUFFER, 50UM EDTA,
REMARK 210 0.02% NAN3, 95% H2O, 5% D2O; 1MM
REMARK 210 B2 U 15N/13C, IN 5MM POTASSIUM
REMARK 210 PHOSPHATE BUFFER, 50UM EDTA,
REMARK 210 0.02% NAN3, 99.999% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY; 1H
REMARK 210 -13C HSQC OR HMQC; 1H-15N HMQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : AURELIA 3.108, X-PLOR NIH
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 17
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 17
REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL CALCULATED STRUCTURES
REMARK 210 SUBMITTED,BACK CALCULATED DATA
REMARK 210 AGREE WITH EXPERIMENTAL NOESY
REMARK 210 SPECTRUM,STRUCTURES WITH
REMARK 210 ACCEPTABLE COVALENT GEOMETRY,
REMARK 210 STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS,STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: ASSIGNMENT METHODOLOGY FOR THIS MOLECULE IS DESCRIBED IN
REMARK 210 J. BIOMOL. NMR 9, 259-272 (1997) AND PROG. IN NUC. MAGN.
REMARK 210 RESONAN. SPEC. 32, 287-387 (1998).
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: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
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 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 A A 3 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 5 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 G A 12 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 12 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 A A 13 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 G A 14 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 14 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 A A 18 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 2 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 2 A A 3 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 5 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 G A 12 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 2 G A 12 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 A A 13 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 G A 14 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 14 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 2 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 A A 18 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 3 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 3 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 3 A A 3 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 3 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 G A 5 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 3 G A 12 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 3 G A 12 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 3 A A 13 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 3 G A 14 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 3 G A 14 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 3 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 3 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 3 A A 18 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 4 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 4 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 4 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 4 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 4 A A 3 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 255 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1F7Y RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE CUUCGG TETRALOOP.
REMARK 900 RELATED ID: 1JP0 RELATED DB: PDB
REMARK 900 STRUCTURE OF THE UGAGAU HEXALOOP THAT BRACES BACILLUS RNASE P FOR
REMARK 900 ACTION. STRUCUTRE CONTAINS A 5' BULGED URIDINE IN THE CONTEXT OF A
REMARK 900 GC/GC STACK.
REMARK 900 RELATED ID: 1F7F RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE AND METAL ION BINDING OF THE P4 ELEMENT FROM
REMARK 900 BACTERIAL RNASE P RNA. STRUCTURE CONTAINS 5' BULGED URIDINE IN THE
REMARK 900 CONTEXT OF A GC/CG STACK.
REMARK 900 RELATED ID: 1QWB RELATED DB: PDB
REMARK 900 NMR STRUCUTRE OF 5'-R(GGACACGAAAUCCCGAAGUAGUGUCC)-3' : AN RNA
REMARK 900 HAIPRIN CONTAINING THE IN VITRO SELECTED CONSENSUS SEQUENCE FOR
REMARK 900 NUCLEOLIN RBD12.
REMARK 999
REMARK 999 SEQUENCE THE FIRST TWO AND LAST TWO NUCLEOTIDES WERE DERIVED
REMARK 999 FROM THE MOUSE 5'ETS.
DBREF 1QWA A 3 19 GB M20154 M20154.1 562 578
SEQADV 1QWA G A 1 GB M20154 SEE REMARK 999
SEQADV 1QWA G A 2 GB M20154 SEE REMARK 999
SEQADV 1QWA C A 20 GB M20154 SEE REMARK 999
SEQADV 1QWA C A 21 GB M20154 SEE REMARK 999
SEQRES 1 A 21 G G A U G C C U C C C G A
SEQRES 2 A 21 G U G C A U 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 - 7 20 Bytes