Header list of 2tpk.pdb file
Complete list - 25 20 Bytes
HEADER RNA 28-OCT-98 2TPK TITLE AN INVESTIGATION OF THE STRUCTURE OF THE PSEUDOKNOT WITHIN THE GENE 32 TITLE 2 MESSENGER RNA OF BACTERIOPHAGE T2 USING HETERONUCLEAR NMR METHODS COMPND MOL_ID: 1; COMPND 2 MOLECULE: RNA (MRNA PSEUDOKNOT); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: RNA WAS CHEMICALLY SYNTHESIZED FROM GENE 32 OF SOURCE 4 BACTERIOPHAGE T2. KEYWDS PSEUDOKNOT, T2, RNA, RIBONUCLEIC ACID EXPDTA SOLUTION NMR AUTHOR J.A.HOLLAND,M.R.HANSEN,Z.DU,D.W.HOFFMAN REVDAT 6 07-DEC-11 2TPK 1 JRNL VERSN REVDAT 5 24-FEB-09 2TPK 1 VERSN REVDAT 4 01-APR-03 2TPK 1 JRNL REVDAT 3 19-JAN-00 2TPK 1 JRNL REVDAT 2 22-DEC-99 2TPK 4 HEADER COMPND REMARK JRNL REVDAT 2 2 4 ATOM SOURCE SEQRES REVDAT 1 04-NOV-98 2TPK 0 JRNL AUTH J.A.HOLLAND,M.R.HANSEN,Z.DU,D.W.HOFFMAN JRNL TITL AN EXAMINATION OF COAXIAL STACKING OF HELICAL STEMS IN A JRNL TITL 2 PSEUDOKNOT MOTIF: THE GENE 32 MESSENGER RNA PSEUDOKNOT OF JRNL TITL 3 BACTERIOPHAGE T2. JRNL REF RNA V. 5 257 1999 JRNL REFN ISSN 1355-8382 JRNL PMID 10024177 JRNL DOI 10.1017/S1355838299981360 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Z.DU,D.W.HOFFMAN REMARK 1 TITL AN NMR AND MUTATIONAL STUDY OF THE PSEUDOKNOT WITHIN THE REMARK 1 TITL 2 GENE 32 MRNA OF BACTERIOPHAGE T2: INSIGHTS INTO A FAMILY OF REMARK 1 TITL 3 STRUCTURALLY RELATED RNA PSEUDOKNOTS REMARK 1 REF NUCLEIC ACIDS RES. V. 25 1130 1997 REMARK 1 REFN ISSN 0305-1048 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: REFINEMNET DETAILS CAN BE FOUND IN THE REMARK 3 JRNL CITATION ABOVE. REMARK 4 REMARK 4 2TPK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-SEP-99. REMARK 100 THE RCSB ID CODE IS RCSB008047. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; DQFCOSY; TOCSY; NOESY- REMARK 210 TOCSY; CT-HSQC; HCCH-COSY; NOESY- REMARK 210 HMQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX, XPLOR 3.1 REMARK 210 METHOD USED : DISTANCE GEOMETRY-SIMULATED REMARK 210 ANNEALING AND ENERGY MINIZATION REMARK 210 PROTOCOLS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 19 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: THE STRUCTURE WAS DETERMINED USING NMR SPECTROSCOPY ON REMARK 210 13C,15N-LABELED AND SELECTIVELY DEUTERATED T2 PSEUDOKNOT SAMPLE 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' A A 22 O5' C A 23 1.37 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 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 G A 4 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 4 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 A A 5 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 A A 8 C3' - C2' - C1' ANGL. DEV. = 4.9 DEGREES REMARK 500 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 G A 14 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 14 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 A A 15 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 G A 17 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 17 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 A A 20 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 A A 22 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 A A 24 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 G A 27 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 27 N7 - C8 - N9 ANGL. DEV. = 4.3 DEGREES REMARK 500 G A 27 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 A A 30 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 A A 32 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 G A 33 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 G A 33 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 A A 35 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL DBREF 2TPK A 1 36 PDB 2TPK 2TPK 1 36 SEQRES 1 A 36 G C U G A C C A G C U A U SEQRES 2 A 36 G A G G U C A U A C A U C SEQRES 3 A 36 G U C A U A G C A 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 - 25 20 Bytes