Header list of 1nbr.pdb file
Complete list - b 23 2 Bytes
HEADER RNA 03-DEC-02 1NBR TITLE IRON RESPONSIVE ELEMENT RNA HAIRPIN, NMR, 15 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: RNA HAIRPIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: IN VITRO TRANSCRIPTION USING SYNTHETIC RNA KEYWDS RIBONUCLEIC ACID, RNA, HAIRPIN, TRANSLATIONAL REGULATION EXPDTA SOLUTION NMR NUMMDL 15 AUTHOR S.A.MCCALLUM,A.PARDI REVDAT 3 23-FEB-22 1NBR 1 REMARK REVDAT 2 24-FEB-09 1NBR 1 VERSN REVDAT 1 04-MAR-03 1NBR 0 JRNL AUTH S.A.MCCALLUM,A.PARDI JRNL TITL REFINED SOLUTION STRUCTURE OF THE IRON-RESPONSIVE ELEMENT JRNL TITL 2 RNA USING RESIDUAL DIPOLAR COUPLINGS JRNL REF J.MOL.BIOL. V. 326 1037 2003 JRNL REFN ISSN 0022-2836 JRNL PMID 12589752 JRNL DOI 10.1016/S0022-2836(02)01431-6 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.J.ADDESS,J.P.BASILION,R.D.KLAUSNER,T.A.ROUAULT,A.PARDI REMARK 1 TITL STRUCTURE AND DYNAMICS OF THE IRON RESPONSIVE ELEMENT RNA: REMARK 1 TITL 2 IMPLICATIONS FOR BINDING OF THE RNA BY IRON REGULATORY REMARK 1 TITL 3 BINDING PROTEINS REMARK 1 REF J.MOL.BIOL. V. 274 72 1997 REMARK 1 REFN ISSN 0022-2836 REMARK 1 DOI 10.1006/JMBI.1997.1377 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NBR COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-FEB-03. REMARK 100 THE DEPOSITION ID IS D_1000017749. 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 : 20 MM NA+ IONS REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 97 REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 1 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.7 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. = -2.7 DEGREES REMARK 500 1 A A 3 N7 - C8 - N9 ANGL. DEV. = 3.8 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. = -2.6 DEGREES REMARK 500 1 G A 6 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 6 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 1 A A 11 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 1 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 1 A A 14 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 1 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 1 G A 15 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 1 G A 17 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 17 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 1 G A 21 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 21 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 G A 22 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 1 G A 22 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 1 A A 23 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 G A 25 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 25 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 2 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 2 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 A A 3 N7 - C8 - N9 ANGL. DEV. = 3.7 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. = -2.6 DEGREES REMARK 500 2 G A 6 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 2 G A 6 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 C A 7 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 2 A A 11 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 2 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 2 A A 14 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 2 G A 15 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 2 G A 17 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 2 G A 17 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 G A 21 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 21 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 G A 22 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 22 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 2 A A 23 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 G A 25 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 2 G A 25 C8 - N9 - C4 ANGL. DEV. = -2.8 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. = -2.7 DEGREES REMARK 500 3 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 348 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1AQO RELATED DB: PDB REMARK 900 IRON RESPONSIVE ELEMENT RNA HAIRPIN, NMR, 15 STRUCTURES DBREF 1NBR A 1 29 PDB 1NBR 1NBR 1 29 SEQRES 1 A 29 G G A G U G C U U C A A C SEQRES 2 A 29 A G U G C U U G G A C G C SEQRES 3 A 29 U 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 MODEL 1
Complete list - b 23 2 Bytes