Header list of 1bz3.pdb file
Complete list - 16 202 Bytes
HEADER RNA 05-NOV-98 1BZ3
TITLE STABILIZATION OF THE ANTICODON STEM-LOOP OF TRNALYS,3 BY AN A+C BASE
TITLE 2 PAIR AND BY PSEUDOURIDINE, NMR, 1 STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TRNA;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: ANTICODON (RESIDUES 27-43);
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS TRNA, PSEUDOURIDINE, ANTICODON, RNA
EXPDTA SOLUTION NMR
AUTHOR P.C.DURANT,D.R.DAVIS
REVDAT 4 16-FEB-22 1BZ3 1 REMARK
REVDAT 3 24-FEB-09 1BZ3 1 VERSN
REVDAT 2 01-APR-03 1BZ3 1 JRNL
REVDAT 1 27-APR-99 1BZ3 0
JRNL AUTH P.C.DURANT,D.R.DAVIS
JRNL TITL STABILIZATION OF THE ANTICODON STEM-LOOP OF TRNALYS,3 BY AN
JRNL TITL 2 A+-C BASE-PAIR AND BY PSEUDOURIDINE.
JRNL REF J.MOL.BIOL. V. 285 115 1999
JRNL REFN ISSN 0022-2836
JRNL PMID 9878393
JRNL DOI 10.1006/JMBI.1998.2297
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : AMBER
REMARK 3 AUTHORS : MSI
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: AMBER FORCEFIELD
REMARK 4
REMARK 4 1BZ3 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000172153.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 5
REMARK 210 IONIC STRENGTH : 100 MM NACL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : H2O/D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; ROESY; TOCSY; HMQC; 1H
REMARK 210 -31P COSY; 1H-31P HETERO-TOCSY-
REMARK 210 TOCSY; DQCOSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY 500
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VNMR, FELIX, DISCOVER
REMARK 210 METHOD USED : MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 60
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: LOWEST RMSD DIFFERENCE FROM AVERAGE STRUCTURE. STRUCTURE
REMARK 210 WAS DETERMINED USING RESTRAINTS FROM HOMONUCLEAR ROESY, DQCOSY
REMARK 210 AND NOESY DATA. ASSIGNMENTS WERE MADE WITH A COMBINATION OF
REMARK 210 ROESY, NOESY, TOCSY, 1H-13C HMQC AND 1H-31P.
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' U A 35 OP2 U A 36 1.55
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 U A 27 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 U A 34 O4' - C1' - N1 ANGL. DEV. = -5.7 DEGREES
REMARK 500 U A 36 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES
REMARK 500 A A 37 O5' - C5' - C4' ANGL. DEV. = -8.9 DEGREES
REMARK 500 A A 37 C3' - C2' - C1' ANGL. DEV. = 6.8 DEGREES
REMARK 500 A A 37 N9 - C1' - C2' ANGL. DEV. = -6.8 DEGREES
REMARK 500 A A 37 O4' - C1' - N9 ANGL. DEV. = 5.5 DEGREES
REMARK 500 A A 38 O4' - C1' - N9 ANGL. DEV. = 4.9 DEGREES
REMARK 500 A A 38 C8 - N9 - C4 ANGL. DEV. = 2.9 DEGREES
REMARK 500 U A 39 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
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 C A 32 0.06 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1BZ3 A 27 43 PDB 1BZ3 1BZ3 27 43
SEQRES 1 A 17 U C A G A C U U U U A A U
SEQRES 2 A 17 C U G A
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 - 16 202 Bytes