Header list of 1tut.pdb file
Complete list - 2 202 Bytes
HEADER RNA 25-JUN-04 1TUT
TITLE J4/5 LOOP FROM THE CANDIDA ALBICANS AND CANDIDA DUBLINIENSIS GROUP I
TITLE 2 INTRONS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*GP*AP*GP*GP*AP*AP*GP*GP*CP*GP*A)-3';
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: 5'-R(*UP*CP*GP*UP*UP*AP*AP*UP*CP*UP*C)-3';
COMPND 7 CHAIN: B;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 MOL_ID: 2;
SOURCE 4 SYNTHETIC: YES
KEYWDS RNA, INTERNAL LOOP, TANDEM MISMATCH, GU PAIRS, AA PAIRS
EXPDTA SOLUTION NMR
AUTHOR B.M.ZNOSKO,S.D.KENNEDY,P.C.WILLE,T.R.KRUGH,D.H.TURNER
REVDAT 3 02-MAR-22 1TUT 1 REMARK
REVDAT 2 24-FEB-09 1TUT 1 VERSN
REVDAT 1 28-DEC-04 1TUT 0
JRNL AUTH B.M.ZNOSKO,S.D.KENNEDY,P.C.WILLE,T.R.KRUGH,D.H.TURNER
JRNL TITL STRUCTURAL FEATURES AND THERMODYNAMICS OF THE J4/5 LOOP FROM
JRNL TITL 2 THE CANDIDA ALBICANS AND CANDIDA DUBLINIENSIS GROUP I
JRNL TITL 3 INTRONS.
JRNL REF BIOCHEMISTRY V. 43 15822 2004
JRNL REFN ISSN 0006-2960
JRNL PMID 15595837
JRNL DOI 10.1021/BI049256Y
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 5.2, DISCOVER 95.0
REMARK 3 AUTHORS : VARIAN (VNMR), INSIGHT (DISCOVER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF
REMARK 3 217 NMR-DERIVED INTERPROTON DISTANCE RESTRAINTS (108
REMARK 3 INTRANUCLEOTIDE AND 109 INTERNUCLEOTIDE). HYDROGN BOND
REMARK 3 RESTRAINTS WERE USED FOR THE SIX WC PAIRS AND FOR THE G8-U14
REMARK 3 WOBBLE PAIR. ON THE BASIS OF NMR DATA THAT IS CONSISTENT WITH
REMARK 3 THE FORMATION OF TANDEM SHEARED AA PAIRS, TWO ARTIFICIAL
REMARK 3 HYDROGEN BONDING RESTRAINTS WERE USED BETWEEN EACH SHEARED AA
REMARK 3 PAIR.
REMARK 4
REMARK 4 1TUT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-JUL-04.
REMARK 100 THE DEPOSITION ID IS D_1000022919.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298; 298
REMARK 210 PH : 6.1; 6.1
REMARK 210 IONIC STRENGTH : 80 MM NACL, 3 MM COBALT
REMARK 210 HEXAMINE; 80 MM NACL, 3 MM
REMARK 210 COBALT HEXAMINE
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : ~~2 MM RNA, 80 MM NACL, 3 MM
REMARK 210 KH2PO4, 7 MM K2HPO4, 0.5 MM
REMARK 210 NA2EDTA, 3 MM COBALT HEXAMINE,
REMARK 210 PH=6.1, 90% H2O, 10% D2O; ~~2 MM
REMARK 210 RNA, 80 MM NACL, 3 MM KH2PO4, 7
REMARK 210 MM K2HPO4, 0.5 MM NA2EDTA, 3 MM
REMARK 210 COBALT HEXAMINE, PH=6.1, 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 2000, DISCOVER 95.0
REMARK 210 METHOD USED : MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : CLOSEST TO AVERAGE
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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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 C A 9 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 C B 12 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G B 13 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 U B 14 O4' - C1' - N1 ANGL. DEV. = 5.3 DEGREES
REMARK 500 U B 15 O4' - C1' - N1 ANGL. DEV. = 5.6 DEGREES
REMARK 500 C B 19 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 U B 20 O4' - C1' - N1 ANGL. DEV. = 4.3 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 A A 6 0.07 SIDE CHAIN
REMARK 500 G A 10 0.08 SIDE CHAIN
REMARK 500 U B 11B 0.09 SIDE CHAIN
REMARK 500 A B 16 0.07 SIDE CHAIN
REMARK 500 A B 17 0.06 SIDE CHAIN
REMARK 500 U B 18 0.08 SIDE CHAIN
REMARK 500 C B 19 0.07 SIDE CHAIN
REMARK 500 U B 20 0.07 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1TUT A 1 11 PDB 1TUT 1TUT 1 11
DBREF 1TUT B 11B 21 PDB 1TUT 1TUT 11 21
SEQRES 1 A 11 G A G G A A G G C G A
SEQRES 1 B 11 U C G U U A A U C U 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 - 2 202 Bytes