Header list of 1mfj.pdb file
Complete list - 23 20 Bytes
HEADER RNA 11-AUG-02 1MFJ TITLE 3' STEM-LOOP FROM HUMAN U4 SNRNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*GP*AP*CP*AP*GP*UP*CP*UP*CP*UP*AP*CP*GP*GP*AP*GP*AP*CP COMPND 3 *UP*G)-3'; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: 3'STEM-LOOP OF HUMAN U4 SNRNA SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THIS SEQUENCE IS PART OF HUMAN U4 SNRNA. KEYWDS RIBONUCLEIC ACID, RNA OLIGONUCLEOTIDE, STEM-AND-LOOP, U4 SMALL KEYWDS 2 NUCLEAR RNA, UACG TETRALOOP, RNA EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR L.R.COMOLLI,N.B.ULYANOV,T.L.JAMES,W.H.GMEINER REVDAT 3 23-FEB-22 1MFJ 1 REMARK REVDAT 2 24-FEB-09 1MFJ 1 VERSN REVDAT 1 06-NOV-02 1MFJ 0 JRNL AUTH L.R.COMOLLI,N.B.ULYANOV,A.M.SOTO,L.A.MARKY,T.L.JAMES, JRNL AUTH 2 W.H.GMEINER JRNL TITL NMR STRUCTURE OF THE 3' STEM-LOOP FROM HUMAN U4 SNRNA JRNL REF NUCLEIC ACIDS RES. V. 30 4371 2002 JRNL REFN ISSN 0305-1048 JRNL PMID 12384583 JRNL DOI 10.1093/NAR/GKF560 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : VNMR 6.1, DYANA 1.5, MINICARLO REMARK 3 AUTHORS : VARIAN ASSOCIATES, INC. (VNMR), GUENTERT (DYANA), REMARK 3 ULYANOV ET AL. (MINICARLO) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURES ARE BASED ON 200 DISTANCE REMARK 3 RESTRAINTS, OF WHICH 140 ARE QUANTITATIVE REMARK 3 BOUNDS FOR NONEXCHANGEABLE PROTONS REMARK 3 CALCULATED WITH MARDIGRAS, 56 ARE UPPER REMARK 3 BOUNDS FOR EXCHANGEABLE PROTONS, AND REMARK 3 4 ARE HYDROGEN BOND RESTRAINTS. REMARK 4 REMARK 4 1MFJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-AUG-02. REMARK 100 THE DEPOSITION ID IS D_1000016873. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303; 293 REMARK 210 PH : 6.4; 6.4 REMARK 210 IONIC STRENGTH : 10 MM SODIUM PHOSPHATE & 50 MM REMARK 210 NACL; 10 MM SODIUM PHOSPHATE & REMARK 210 50 MM NACL REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM RNA; 10 MM SODIUM PHOSPHATE REMARK 210 BUFFER; 50 MM SODIUM CHLORIDE; 1 REMARK 210 MM RNA; 10 MM SODIUM PHOSPHATE REMARK 210 BUFFER; 50 MM SODIUM CHLORIDE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY; 2D TOCSY; REMARK 210 NATURAL ABUNDANCE 13C-HMQC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 2.1, SPARKY 3.0, REMARK 210 MARDIGRAS 3.2 REMARK 210 METHOD USED : COMPLETE RELAXATION MATRIX; REMARK 210 RANDOM ERROR ANALYSIS OF NOE; REMARK 210 TORSION ANGLE DYNAMICS; REMARK 210 SIMULATED ANNEALING USING REMARK 210 METROPOLIS MONTE CARLO; REMARK 210 RESTRAINED MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 15 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST TOTAL ENERGY (A WEIGHTED REMARK 210 SUM OF CONFORMATIONAL ENERGY AND REMARK 210 RESTRAINT ENERGY). REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING REMARK 210 STANDARD 2D HOMONUCLEAR TECHNIQUES REMARK 210 AND COMPLETE RELAXATION MATRIX REMARK 210 ANALYSIS OF NOE INTENSITIES. 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 7 A A 15 C3' - C2' - C1' ANGL. DEV. = 5.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL DBREF 1MFJ A 1 20 PDB 1MFJ 1MFJ 1 20 SEQRES 1 A 20 G A C A G U C U C U A C G SEQRES 2 A 20 G A G A C U G 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 - 23 20 Bytes