Header list of 1bn0.pdb file
Complete list - 16 20 Bytes
HEADER RNA 31-JUL-98 1BN0 TITLE SL3 HAIRPIN FROM THE PACKAGING SIGNAL OF HIV-1, NMR, 11 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: SL3 RNA HAIRPIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS HIV-1, PACKAGING, RNA, TETRALOOP, RIBONUCLEIC ACID EXPDTA SOLUTION NMR NUMMDL 11 AUTHOR L.PAPPALARDO,D.J.KERWOOD,I.PELCZER,P.N.BORER REVDAT 3 16-FEB-22 1BN0 1 REMARK REVDAT 2 24-FEB-09 1BN0 1 VERSN REVDAT 1 27-APR-99 1BN0 0 JRNL AUTH L.PAPPALARDO,D.J.KERWOOD,I.PELCZER,P.N.BORER JRNL TITL THREE-DIMENSIONAL FOLDING OF AN RNA HAIRPIN REQUIRED FOR JRNL TITL 2 PACKAGING HIV-1. JRNL REF J.MOL.BIOL. V. 282 801 1998 JRNL REFN ISSN 0022-2836 JRNL PMID 9743628 JRNL DOI 10.1006/JMBI.1998.2046 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, REMARK 3 FERGUSON,SEIBEL,SINGH,WEINER,KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: AVERAGE SIXTH ROOT RESIDUAL NMR INDEX = REMARK 3 0.07, AVERAGE RESTRAINT VIOLATION = 0.06 ANGSTROM. REMARK 4 REMARK 4 1BN0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000171925. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : 30MM REMARK 210 PRESSURE : NORMAL REMARK 210 SAMPLE CONTENTS : WATER REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; DQF-COSY; H-PCOSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : MARDIGRAS, DYANA, AMBER REMARK 210 METHOD USED : DISTANCE GEOMETRY, RESTRAINED REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 500 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 11 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURES WERE DETERMINED FROM 2D NOESY EXPERIMENTS REMARK 210 PERFORMED BOTH IN H2O AND D2O. THE DISTANCE RESTRAINTS REMARK 210 DETERMINED FROM MARDIGRAS WERE BASED ON INTENSITIES FROM A NOESY REMARK 210 WITH A MIXING TIME OF 300MS. DQF-COSY AND H-P COSY WERE USED TO REMARK 210 ASCERTAIN INFORMATION ABOUT THE TORSION ANGLES. 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 C3' - C2' - C1' ANGL. DEV. = 5.9 DEGREES REMARK 500 1 G A 1 O4' - C1' - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 1 A A 3 N7 - C8 - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 1 G A 7 O4' - C1' - N9 ANGL. DEV. = 4.3 DEGREES REMARK 500 1 G A 7 C3' - O3' - P ANGL. DEV. = 8.4 DEGREES REMARK 500 1 A A 11 N9 - C1' - C2' ANGL. DEV. = 9.2 DEGREES REMARK 500 1 A A 11 N3 - C4 - N9 ANGL. DEV. = -5.3 DEGREES REMARK 500 1 A A 11 C6 - C5 - N7 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 13 O4' - C1' - N9 ANGL. DEV. = 16.0 DEGREES REMARK 500 1 G A 13 N9 - C4 - C5 ANGL. DEV. = 2.5 DEGREES REMARK 500 1 G A 13 C8 - N9 - C1' ANGL. DEV. = 8.6 DEGREES REMARK 500 1 C A 14 O4' - C1' - N1 ANGL. DEV. = 5.3 DEGREES REMARK 500 1 U A 15 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 A A 16 O4' - C1' - N9 ANGL. DEV. = 6.5 DEGREES REMARK 500 1 G A 17 O4' - C1' - N9 ANGL. DEV. = 6.3 DEGREES REMARK 500 1 U A 18 C5' - C4' - O4' ANGL. DEV. = 8.7 DEGREES REMARK 500 2 G A 1 C3' - C2' - C1' ANGL. DEV. = 5.6 DEGREES REMARK 500 2 G A 1 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 2 G A 7 C3' - O3' - P ANGL. DEV. = 7.6 DEGREES REMARK 500 2 C A 8 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 2 A A 11 C3' - O3' - P ANGL. DEV. = 7.6 DEGREES REMARK 500 2 G A 13 O4' - C1' - N9 ANGL. DEV. = 9.6 DEGREES REMARK 500 2 C A 14 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES REMARK 500 2 A A 16 O4' - C1' - N9 ANGL. DEV. = 5.6 DEGREES REMARK 500 2 G A 17 O4' - C1' - N9 ANGL. DEV. = 5.5 DEGREES REMARK 500 2 U A 18 C5' - C4' - O4' ANGL. DEV. = 9.4 DEGREES REMARK 500 2 C A 19 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES REMARK 500 3 G A 1 C3' - C2' - C1' ANGL. DEV. = 6.4 DEGREES REMARK 500 3 G A 1 O4' - C1' - N9 ANGL. DEV. = 5.7 DEGREES REMARK 500 3 G A 7 O4' - C1' - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 3 G A 7 C3' - O3' - P ANGL. DEV. = 7.8 DEGREES REMARK 500 3 G A 9 O4' - C1' - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 3 A A 11 C4' - C3' - C2' ANGL. DEV. = 7.6 DEGREES REMARK 500 3 A A 11 N9 - C1' - C2' ANGL. DEV. = 9.9 DEGREES REMARK 500 3 A A 11 N3 - C4 - N9 ANGL. DEV. = -5.1 DEGREES REMARK 500 3 A A 11 C4 - N9 - C1' ANGL. DEV. = -11.0 DEGREES REMARK 500 3 A A 11 C3' - O3' - P ANGL. DEV. = 7.9 DEGREES REMARK 500 3 G A 13 O4' - C1' - N9 ANGL. DEV. = 10.9 DEGREES REMARK 500 3 C A 14 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES REMARK 500 3 A A 16 O4' - C1' - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 3 G A 17 O4' - C1' - N9 ANGL. DEV. = 6.3 DEGREES REMARK 500 3 U A 18 C5' - C4' - O4' ANGL. DEV. = 8.9 DEGREES REMARK 500 4 G A 1 C3' - C2' - C1' ANGL. DEV. = 6.1 DEGREES REMARK 500 4 G A 1 O4' - C1' - N9 ANGL. DEV. = 5.4 DEGREES REMARK 500 4 G A 7 O4' - C1' - N9 ANGL. DEV. = 4.9 DEGREES REMARK 500 4 G A 7 C3' - O3' - P ANGL. DEV. = 8.4 DEGREES REMARK 500 4 G A 9 O4' - C1' - N9 ANGL. DEV. = 5.1 DEGREES REMARK 500 4 A A 11 C3' - C2' - C1' ANGL. DEV. = -4.6 DEGREES REMARK 500 4 A A 11 O4' - C1' - N9 ANGL. DEV. = 5.8 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 152 ANGLE DEVIATIONS. 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 1 A A 3 0.06 SIDE CHAIN REMARK 500 1 A A 6 0.07 SIDE CHAIN REMARK 500 1 G A 7 0.06 SIDE CHAIN REMARK 500 1 G A 9 0.06 SIDE CHAIN REMARK 500 1 A A 11 0.22 SIDE CHAIN REMARK 500 1 G A 13 0.10 SIDE CHAIN REMARK 500 1 U A 15 0.10 SIDE CHAIN REMARK 500 1 C A 19 0.08 SIDE CHAIN REMARK 500 1 C A 20 0.06 SIDE CHAIN REMARK 500 2 G A 1 0.07 SIDE CHAIN REMARK 500 2 C A 4 0.07 SIDE CHAIN REMARK 500 2 A A 6 0.07 SIDE CHAIN REMARK 500 2 G A 10 0.06 SIDE CHAIN REMARK 500 2 G A 12 0.07 SIDE CHAIN REMARK 500 2 U A 15 0.12 SIDE CHAIN REMARK 500 2 G A 17 0.09 SIDE CHAIN REMARK 500 2 C A 19 0.10 SIDE CHAIN REMARK 500 3 A A 6 0.10 SIDE CHAIN REMARK 500 3 G A 7 0.10 SIDE CHAIN REMARK 500 3 G A 9 0.07 SIDE CHAIN REMARK 500 3 A A 11 0.30 SIDE CHAIN REMARK 500 3 G A 13 0.11 SIDE CHAIN REMARK 500 3 C A 14 0.09 SIDE CHAIN REMARK 500 3 U A 15 0.14 SIDE CHAIN REMARK 500 3 A A 16 0.08 SIDE CHAIN REMARK 500 3 C A 19 0.07 SIDE CHAIN REMARK 500 3 C A 20 0.06 SIDE CHAIN REMARK 500 4 G A 2 0.12 SIDE CHAIN REMARK 500 4 A A 3 0.06 SIDE CHAIN REMARK 500 4 A A 6 0.07 SIDE CHAIN REMARK 500 4 G A 9 0.13 SIDE CHAIN REMARK 500 4 A A 11 0.39 SIDE CHAIN REMARK 500 4 G A 13 0.12 SIDE CHAIN REMARK 500 4 U A 15 0.14 SIDE CHAIN REMARK 500 4 U A 18 0.08 SIDE CHAIN REMARK 500 4 C A 19 0.13 SIDE CHAIN REMARK 500 5 G A 1 0.06 SIDE CHAIN REMARK 500 5 A A 6 0.08 SIDE CHAIN REMARK 500 5 G A 7 0.09 SIDE CHAIN REMARK 500 5 G A 9 0.06 SIDE CHAIN REMARK 500 5 G A 12 0.12 SIDE CHAIN REMARK 500 5 G A 13 0.08 SIDE CHAIN REMARK 500 5 C A 14 0.08 SIDE CHAIN REMARK 500 5 A A 16 0.12 SIDE CHAIN REMARK 500 5 G A 17 0.07 SIDE CHAIN REMARK 500 5 C A 19 0.09 SIDE CHAIN REMARK 500 5 C A 20 0.14 SIDE CHAIN REMARK 500 6 A A 6 0.06 SIDE CHAIN REMARK 500 6 A A 11 0.21 SIDE CHAIN REMARK 500 6 G A 13 0.11 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 92 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1BN0 A 1 20 PDB 1BN0 1BN0 1 20 SEQRES 1 A 20 G G A C U A G C G G A G G SEQRES 2 A 20 C U A G 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 - 16 20 Bytes