Header list of 28sr.pdb file
Complete list - 9 202 Bytes
HEADER RNA 15-APR-99 28SR TITLE NMR STRUCTURE OF THE MOST CONSERVED RNA MOTIF IN SRP RNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: SRP DOMAIN IV; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SRP DOMAIN IV; COMPND 5 SYNONYM: SRP54 BINDING DOMAIN; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 OTHER_DETAILS: PREPARED BY IN VITRO TRANSCRIPTION WITH T7 RNA SOURCE 7 POLYMERASE KEYWDS NMR OF RNA, SRP, 4.5S RNA, RNA STRUCTURE, COMPLETE RELAXATION MATRIX KEYWDS 2 ANALYSIS, RNA EXPDTA SOLUTION NMR AUTHOR U.SCHMITZ,T.L.JAMES,P.LUKAVSKY,P.WALTER REVDAT 4 09-MAR-22 28SR 1 REMARK REVDAT 3 24-FEB-09 28SR 1 VERSN REVDAT 2 31-AUG-99 28SR 1 JRNL REVDAT 1 20-APR-99 28SR 0 JRNL AUTH U.SCHMITZ,T.L.JAMES,P.LUKAVSKY,P.WALTER JRNL TITL STRUCTURE OF THE MOST CONSERVED INTERNAL LOOP IN SRP RNA. JRNL REF NAT.STRUCT.BIOL. V. 6 634 1999 JRNL REFN ISSN 1072-8368 JRNL PMID 10404218 JRNL DOI 10.1038/10683 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 5.0 REMARK 3 AUTHORS : PEARLMAN, KOLLMAN ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE REMARK 3 JRNL CITATION ABOVE REMARK 4 REMARK 4 28SR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-APR-99. REMARK 100 THE DEPOSITION ID IS D_1000000859. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 0.25 MM RNA REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; COSY; SSNOESY; TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : SPARKY REMARK 210 METHOD USED : RESTRAINED MD, COMPLETE REMARK 210 RELAXATION MATRIX ANALYSIS 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 : NULL REMARK 210 REMARK 210 REMARK: NULL 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 HO2' U A 5 OP1 C A 6 1.36 REMARK 500 HO2' G A 21 OP1 C A 22 1.45 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 G A 2 C5' - C4' - C3' ANGL. DEV. = -10.2 DEGREES REMARK 500 C A 3 O4' - C1' - N1 ANGL. DEV. = 5.4 DEGREES REMARK 500 C A 3 N1 - C2 - O2 ANGL. DEV. = 3.7 DEGREES REMARK 500 C A 3 N3 - C2 - O2 ANGL. DEV. = -4.5 DEGREES REMARK 500 G A 4 O4' - C1' - N9 ANGL. DEV. = 5.9 DEGREES REMARK 500 C A 6 O4' - C1' - N1 ANGL. DEV. = 9.0 DEGREES REMARK 500 A A 7 C5' - C4' - O4' ANGL. DEV. = 6.4 DEGREES REMARK 500 A A 7 C4 - C5 - C6 ANGL. DEV. = -3.2 DEGREES REMARK 500 A A 7 C5 - C6 - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 G A 8 N9 - C1' - C2' ANGL. DEV. = -12.7 DEGREES REMARK 500 G A 9 O4' - C1' - N9 ANGL. DEV. = 4.3 DEGREES REMARK 500 G A 14 O4' - C1' - N9 ANGL. DEV. = 5.8 DEGREES REMARK 500 G A 17 N7 - C8 - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 A A 19 O4' - C1' - N9 ANGL. DEV. = 7.1 DEGREES REMARK 500 A A 19 C5 - C6 - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 G A 21 N9 - C1' - C2' ANGL. DEV. = 8.1 DEGREES REMARK 500 G A 21 O4' - C1' - N9 ANGL. DEV. = 5.1 DEGREES REMARK 500 A A 23 C5' - C4' - O4' ANGL. DEV. = 6.4 DEGREES REMARK 500 A A 23 O4' - C1' - N9 ANGL. DEV. = 7.8 DEGREES REMARK 500 A A 23 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 A A 23 N1 - C6 - N6 ANGL. DEV. = -6.0 DEGREES REMARK 500 C A 25 O4' - C1' - N1 ANGL. DEV. = 6.0 DEGREES REMARK 500 G A 26 O4' - C1' - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 C A 27 O4' - C1' - N1 ANGL. DEV. = 5.5 DEGREES REMARK 500 C A 27 N3 - C2 - O2 ANGL. DEV. = -4.3 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 G A 1 0.09 SIDE CHAIN REMARK 500 G A 2 0.12 SIDE CHAIN REMARK 500 U A 5 0.08 SIDE CHAIN REMARK 500 C A 6 0.18 SIDE CHAIN REMARK 500 G A 8 0.09 SIDE CHAIN REMARK 500 U A 10 0.12 SIDE CHAIN REMARK 500 C A 11 0.09 SIDE CHAIN REMARK 500 G A 13 0.07 SIDE CHAIN REMARK 500 G A 14 0.11 SIDE CHAIN REMARK 500 A A 15 0.12 SIDE CHAIN REMARK 500 G A 17 0.07 SIDE CHAIN REMARK 500 G A 21 0.13 SIDE CHAIN REMARK 500 C A 22 0.14 SIDE CHAIN REMARK 500 A A 23 0.07 SIDE CHAIN REMARK 500 G A 26 0.07 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 28SR A 1 28 PDB 28SR 28SR 1 28 SEQRES 1 A 28 G G C G U C A G G U C C G SEQRES 2 A 28 G A A G G A A G C A G C G SEQRES 3 A 28 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
Complete list - 9 202 Bytes