Header list of 1pjy.pdb file
Complete list - b 23 2 Bytes
HEADER RNA 04-JUN-03 1PJY
TITLE SOLUTION STRUCTURE OF THE HIV-1 FRAMESHIFT INDUCING STEM-LOOP RNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HIV-1 FRAMESHIFT INDUCING STEM-LOOP;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: T7 RNA TRANSCRIPT FROM SYNTHETIC DNA
KEYWDS FRAMESHIFT, HIV, TETRALOOP, RNA STRUCTURE, RNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR D.W.STAPLE,S.E.BUTCHER
REVDAT 3 23-FEB-22 1PJY 1 REMARK
REVDAT 2 24-FEB-09 1PJY 1 VERSN
REVDAT 1 05-AUG-03 1PJY 0
JRNL AUTH D.W.STAPLE,S.E.BUTCHER
JRNL TITL SOLUTION STRUCTURE OF THE HIV-1 FRAMESHIFT INDUCING
JRNL TITL 2 STEM-LOOP RNA.
JRNL REF NUCLEIC ACIDS RES. V. 31 4326 2003
JRNL REFN ISSN 0305-1048
JRNL PMID 12888491
JRNL DOI 10.1093/NAR/GKG654
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, CNS 1.1
REMARK 3 AUTHORS : BRUNGER (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1PJY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-JUN-03.
REMARK 100 THE DEPOSITION ID IS D_1000019377.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 283; 298; 303
REMARK 210 PH : 6.8; 6.8; 6.8
REMARK 210 IONIC STRENGTH : 50 MM; 50 MM; 50 MM
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 MM HIV-1 FRAMESHIFT INDUCING
REMARK 210 STEM-LOOP RNA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; 3D_13C
REMARK 210 -SEPARATED_NOESY; 2D HNN-COSY;
REMARK 210 2D 1H-13C HSQC
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 98, SPARKY 3.72
REMARK 210 METHOD USED : TORSION ANGLE MOLECULAR
REMARK 210 DYNAMICS, CARTESIAN SPACE
REMARK 210 SIMULATED ANNEALING AND
REMARK 210 MOLECULAR DYNAMICS, RESIDUAL
REMARK 210 DIPOLAR COUPLING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : SUBMITTED CONFERMERS REPRESENT
REMARK 210 THE 20 LOWEST ENERGY STRUCTURES
REMARK 210 WITH NO NOE VIOLATIONS GREATER
REMARK 210 THAN 0.2 ANGSTROMS AND NO
REMARK 210 DIHEDRAL VIOLATIONS GREATER THAN
REMARK 210 5 DEGREES
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE INCORPORATION OF RESIDUAL DIPOLAR COUPLINGS AND THE
REMARK 210 DIRECT DETECTION OF HYDROGEN BONDS WITH HNN-COSY WERE USED IN
REMARK 210 SOLVING THIS STRUCTURE
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 H2' A A 13 O4' G A 14 1.59
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1PJY A 1 22 PDB 1PJY 1PJY 1 22
SEQRES 1 A 22 G G C C U U C C C A C A A
SEQRES 2 A 22 G G G A A G G 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