Header list of 17ra.pdb file
Complete list - 16 20 Bytes
HEADER RNA 04-AUG-98 17RA
TITLE BRANCHPOINT HELIX FROM YEAST AND BINDING SITE FOR PHAGE GA/MS2 COAT
TITLE 2 PROTEINS, NMR, 12 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RBS AND START SITE FOR PHAGE GA REPLICASE GENE;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: IN VITRO SYNTHESIS FROM DNA TEMPLATE USING T7 RNA
SOURCE 4 POLYMERASE. HAIRPIN CORRESPONDS TO NT -16 - +5 OF PHAGE GA REPLICASE
SOURCE 5 AND THE YEAST PRE-MRNA BRANCHPOINT HELIX
KEYWDS BRANCHPOINT HELIX, PHAGE MS2, BULGE, BASE TRIPLE, RIBONUCLEIC ACID,
KEYWDS 2 RNA
EXPDTA SOLUTION NMR
NUMMDL 12
AUTHOR E.P.NIKONOWICZ,J.S.SMITH
REVDAT 3 16-FEB-22 17RA 1 REMARK
REVDAT 2 24-FEB-09 17RA 1 VERSN
REVDAT 1 20-APR-99 17RA 0
JRNL AUTH J.S.SMITH,E.P.NIKONOWICZ
JRNL TITL NMR STRUCTURE AND DYNAMICS OF AN RNA MOTIF COMMON TO THE
JRNL TITL 2 SPLICEOSOME BRANCH-POINT HELIX AND THE RNA-BINDING SITE FOR
JRNL TITL 3 PHAGE GA COAT PROTEIN.
JRNL REF BIOCHEMISTRY V. 37 13486 1998
JRNL REFN ISSN 0006-2960
JRNL PMID 9753434
JRNL DOI 10.1021/BI981558A
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE
REMARK 3 JRNL CITATION ABOVE.
REMARK 4
REMARK 4 17RA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000170178.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.8
REMARK 210 IONIC STRENGTH : 20 MM
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 10% H2O/90% D2O, 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D/3D NOESY; COSY; HETCOR
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : AMX500
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 950
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 75
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 12
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: FURTHER DETAILS OF DATA ACQUISITION AND STRUCTURE
REMARK 210 CALCULATION CAN BE FOUND IN THE METHODS SECTION OF THE
REMARK 210 MANUSCRIPT LISTED ABOVE. MODELS 1-6 ARE MINIMIZED STRUCTURES
REMARK 210 CALCULATED WITHOUT BASE PAIR CONSTRAINTS FOR A6, A7, AND U16.
REMARK 210 MODELS 7-12 ARE MINIMIZED STRUCTURES CALCULATED USING A6-U16
REMARK 210 BASE PAIR CONSTRAINTS AND AN A7 N1H-U16 O2 HYDROGEN BOND.
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 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 1 C8 - N9 - C4 ANGL. DEV. = -3.0 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. = -2.9 DEGREES
REMARK 500 1 G A 4 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 4 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 1 A A 6 C3' - C2' - C1' ANGL. DEV. = 5.0 DEGREES
REMARK 500 1 A A 6 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 A A 7 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 A A 7 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 1 G A 8 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 8 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 1 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 9 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES
REMARK 500 1 A A 10 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 A A 10 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 1 A A 13 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 A A 13 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 1 A A 17 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 A A 17 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 G A 19 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 19 C8 - N9 - C4 ANGL. DEV. = -3.0 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. = -3.0 DEGREES
REMARK 500 2 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 2 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES
REMARK 500 2 G A 4 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 4 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 2 A A 6 C3' - C2' - C1' ANGL. DEV. = 5.0 DEGREES
REMARK 500 2 A A 6 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 2 A A 7 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 A A 7 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 2 G A 8 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 8 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 2 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 2 G A 9 C8 - N9 - C4 ANGL. DEV. = -3.1 DEGREES
REMARK 500 2 A A 10 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 A A 13 N7 - C8 - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 2 A A 17 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 A A 17 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 2 G A 19 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 19 C8 - N9 - C4 ANGL. DEV. = -3.0 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. = -3.0 DEGREES
REMARK 500 3 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 G A 2 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES
REMARK 500 3 G A 4 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 4 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 3 A A 6 C3' - C2' - C1' ANGL. DEV. = 5.0 DEGREES
REMARK 500 3 A A 6 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 254 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AAU
REMARK 800 EVIDENCE_CODE: UNKNOWN
REMARK 800 SITE_DESCRIPTION: A-A)*U MOTIF. PKA OF A7~6.1 AND IS PARTIALLY
REMARK 800 PROTONATED AT PH 6.8, A7 NH1 MAY BE STABILIZED BY U16 O2 (MODELS
REMARK 800 7-12).
DBREF 17RA A 1 21 PDB 17RA 17RA 1 21
SEQRES 1 A 21 G G C G U A A G G A U U A
SEQRES 2 A 21 C C U A U G C C
SITE 1 AAU 3 A A 6 A A 7 U A 16
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 - 16 20 Bytes