Header list of 1l1w.pdb file
Complete list - 23 202 Bytes
HEADER RNA 20-FEB-02 1L1W TITLE NMR STRUCTURE OF A SRP19 BINDING DOMAIN IN HUMAN SRP RNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: SRP19 BINDING DOMAIN OF SRP RNA; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: HELIX 6 SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THIS SEQUENCE IS FOUND NATURALLY IN HOMO SAPIENS SOURCE 4 (HUMANS). KEYWDS RNA HAIRPIN, TETRALOOP, GNRR, MISMATCH, RNA EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR T.SAKAMOTO,S.MORITA,K.TABATA,K.NAKAMURA,G.KAWAI REVDAT 4 23-FEB-22 1L1W 1 REMARK REVDAT 3 24-FEB-09 1L1W 1 VERSN REVDAT 2 28-AUG-02 1L1W 1 JRNL REVDAT 1 22-MAY-02 1L1W 0 JRNL AUTH T.SAKAMOTO,S.MORITA,K.TABATA,K.NAKAMURA,G.KAWAI JRNL TITL SOLUTION STRUCTURE OF A SRP19 BINDING DOMAIN IN HUMAN SRP JRNL TITL 2 RNA. JRNL REF J.BIOCHEM.(TOKYO) V. 132 177 2002 JRNL REFN ISSN 0021-924X JRNL PMID 12153712 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 2.1, DISCOVER REMARK 3 AUTHORS : BIOSYM (DISCOVER) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1L1W COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-FEB-02. REMARK 100 THE DEPOSITION ID IS D_1000015570. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 50MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.5MM RNA FRAGMENT; 20MM REMARK 210 PHOSPHATE BUFFER NA; 95% H2O, 5% REMARK 210 D2O; 0.5MM RNA FRAGMENT; 20MM REMARK 210 PHOSPHATE BUFFER NA; 100% D2O; REMARK 210 0.5MM RNA FRAGMENT U-15N,13C- REMARK 210 GUANOSINE,CYTIDINE; 20MM REMARK 210 PHOSPHATE BUFFER NA; 95% H2O, 5% REMARK 210 D2O; 0.5MM RNA FRAGMENT U-15N, REMARK 210 13C-GUANOSINE,CYTIDINE; 20MM REMARK 210 PHOSPHATE BUFFER NA; 100% D2O; REMARK 210 0.5MM RNA FRAGMENT U-15N,13C- REMARK 210 GUANOSINE,URIDINE; 20MM REMARK 210 PHOSPHATE BUFFER NA; 100% D2O; REMARK 210 0.5MM RNA FRAGMENT U-15N,13C- REMARK 210 ADENOSINE,CYTIDINE; 20MM REMARK 210 PHOSPHATE BUFFER NA; 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D HNN-COSY; 2D HALF REMARK 210 FILTERED NOESY; DQF-COSY; 2D HP- REMARK 210 COSY; 2D TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX; INOVA REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 6.1B, FELIX 97.0, DISCOVER REMARK 210 97.0 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 : 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: 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 U A 3 O4' - C1' - N1 ANGL. DEV. = 6.3 DEGREES REMARK 500 C A 6 O4' - C1' - N1 ANGL. DEV. = 5.1 DEGREES REMARK 500 C A 7 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES REMARK 500 U A 8 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES REMARK 500 C A 9 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES REMARK 500 C A 10 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 C A 11 O4' - C1' - N1 ANGL. DEV. = 5.3 DEGREES REMARK 500 A A 15 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 16 O4' - C1' - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 C A 24 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 C A 25 O4' - C1' - N1 ANGL. DEV. = 5.9 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 0.07 SIDE CHAIN REMARK 500 G A 14 0.06 SIDE CHAIN REMARK 500 A A 23 0.06 SIDE CHAIN REMARK 500 C A 27 0.06 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1L1W A 1 29 PDB 1L1W 1L1W 1 29 SEQRES 1 A 29 G G U G A C C U C C C G G SEQRES 2 A 29 G A G C G G G G G A C C A SEQRES 3 A 29 C C A 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 - 23 202 Bytes