Header list of 1z30.pdb file
Complete list - 2 20 Bytes
HEADER RNA 10-MAR-05 1Z30
TITLE NMR STRUCTURE OF THE APICAL PART OF STEMLOOP D FROM CLOVERLEAF 1 OF
TITLE 2 BOVINE ENTEROVIRUS 1 RNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*GP*GP*CP*GP*UP*UP*CP*GP*UP*UP*AP*GP*AP*AP*CP*GP*UP*C)
COMPND 3 -3';
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE SEQUENCE OF THIS RNA NATURALLY EXIST IN BOVINE
SOURCE 4 ENTEROVIRUS 1 (VIRUS)
KEYWDS CGUUAG RNA TETRALOOP, CUNCGG-TYPE BACKBONE CONFORMATION, A-FORM
KEYWDS 2 HELIX, RNA
EXPDTA SOLUTION NMR
NUMMDL 15
AUTHOR Y.IHLE,O.OHLENSCHLAGER,E.DUCHARDT,R.RAMACHANDRAN,M.GORLACH
REVDAT 3 02-MAR-22 1Z30 1 REMARK
REVDAT 2 24-FEB-09 1Z30 1 VERSN
REVDAT 1 26-APR-05 1Z30 0
JRNL AUTH Y.IHLE,O.OHLENSCHLAGER,S.HAFNER,E.DUCHARDT,M.ZACHARIAS,
JRNL AUTH 2 S.SEITZ,R.ZELL,R.RAMACHANDRAN,M.GORLACH
JRNL TITL A NOVEL CGUUAG TETRALOOP STRUCTURE WITH A CONSERVED
JRNL TITL 2 YYNMGG-TYPE BACKBONE CONFORMATION FROM CLOVERLEAF 1 OF
JRNL TITL 3 BOVINE ENTEROVIRUS 1 RNA
JRNL REF NUCLEIC ACIDS RES. V. 33 2003 2005
JRNL REFN ISSN 0305-1048
JRNL PMID 15814817
JRNL DOI 10.1093/NAR/GKI501
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1, REV. C, OPAL 2.6
REMARK 3 AUTHORS : VARIAN INC. (VNMR), LUGINBUHL (OPAL)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: 518 UPPER LIMIT DISTANCE CONSTRAINTS
REMARK 3 DERIVED FROM NOE CROSS PEAKS, 184 TORSION ANGLE CONSTRAINTS
REMARK 3 DEFINING 156 TORSION ANGLES, 36 HYDROGEN BOND CONSTRAINTS
REMARK 4
REMARK 4 1Z30 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 14-MAR-05.
REMARK 100 THE DEPOSITION ID IS D_1000032233.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298; 283
REMARK 210 PH : 6.2; 6.2
REMARK 210 IONIC STRENGTH : 10MM KH2PO4/K2HPO4, 40MM KCL,
REMARK 210 0.2MM EDTA; 10MM KH2PO4/K2HPO4,
REMARK 210 40MM KCL, 0.2MM EDTA
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.0MM U-[15N]-BEVSLDAP RNA;
REMARK 210 0.9MM U-[13C,15N]-BEVSLDAP RNA;
REMARK 210 0.9MM U-[13C,15N]-BEVSLDAP RNA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VNMR 6.1, REV. C, XEASY 1.3.9,
REMARK 210 CYANA 1.0.6, FOUND IMPLEMENTED
REMARK 210 IN CYANA-1.0.6
REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED
REMARK 210 ANNEALING, ENERGY MINIMISATION
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY, TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 5
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 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 1 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES
REMARK 500 1 U A 6 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 1 A A 11 O4' - C1' - N9 ANGL. DEV. = 4.9 DEGREES
REMARK 500 2 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 2 A A 11 O4' - C1' - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 3 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 3 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 3 A A 11 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 C A 15 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 3 U A 17 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 4 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 4 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 4 U A 17 O4' - C1' - N1 ANGL. DEV. = 5.5 DEGREES
REMARK 500 5 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 5 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 5 A A 11 O4' - C1' - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 5 C A 15 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 6 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 6 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 6 A A 11 O4' - C1' - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 6 C A 15 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 7 U A 5 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES
REMARK 500 7 U A 6 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 8 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 8 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 8 A A 11 O4' - C1' - N9 ANGL. DEV. = 5.2 DEGREES
REMARK 500 8 U A 17 O4' - C1' - N1 ANGL. DEV. = 5.3 DEGREES
REMARK 500 9 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 9 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 9 U A 6 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 9 A A 11 O4' - C1' - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 10 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 10 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 10 A A 11 O4' - C1' - N9 ANGL. DEV. = 5.0 DEGREES
REMARK 500 10 U A 17 O4' - C1' - N1 ANGL. DEV. = 5.6 DEGREES
REMARK 500 11 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 11 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 11 U A 6 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 11 A A 11 O4' - C1' - N9 ANGL. DEV. = 5.3 DEGREES
REMARK 500 11 U A 17 O4' - C1' - N1 ANGL. DEV. = 5.9 DEGREES
REMARK 500 12 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 12 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 12 A A 11 O4' - C1' - N9 ANGL. DEV. = 5.5 DEGREES
REMARK 500 12 C A 15 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 12 U A 17 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 13 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 13 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 13 U A 6 O4' - C1' - N1 ANGL. DEV. = 5.6 DEGREES
REMARK 500 13 A A 11 O4' - C1' - N9 ANGL. DEV. = 5.3 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 58 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 G A 8 0.07 SIDE CHAIN
REMARK 500 1 A A 11 0.10 SIDE CHAIN
REMARK 500 1 G A 12 0.05 SIDE CHAIN
REMARK 500 1 G A 16 0.07 SIDE CHAIN
REMARK 500 2 G A 4 0.07 SIDE CHAIN
REMARK 500 2 G A 8 0.06 SIDE CHAIN
REMARK 500 2 A A 11 0.09 SIDE CHAIN
REMARK 500 2 G A 16 0.07 SIDE CHAIN
REMARK 500 3 G A 4 0.07 SIDE CHAIN
REMARK 500 3 G A 8 0.06 SIDE CHAIN
REMARK 500 3 A A 11 0.06 SIDE CHAIN
REMARK 500 3 G A 16 0.07 SIDE CHAIN
REMARK 500 4 G A 8 0.07 SIDE CHAIN
REMARK 500 5 G A 8 0.07 SIDE CHAIN
REMARK 500 5 A A 11 0.06 SIDE CHAIN
REMARK 500 5 G A 16 0.08 SIDE CHAIN
REMARK 500 6 G A 4 0.07 SIDE CHAIN
REMARK 500 6 U A 5 0.06 SIDE CHAIN
REMARK 500 6 A A 11 0.09 SIDE CHAIN
REMARK 500 6 G A 12 0.06 SIDE CHAIN
REMARK 500 6 G A 16 0.08 SIDE CHAIN
REMARK 500 7 G A 8 0.06 SIDE CHAIN
REMARK 500 7 A A 11 0.08 SIDE CHAIN
REMARK 500 7 G A 12 0.06 SIDE CHAIN
REMARK 500 7 G A 16 0.06 SIDE CHAIN
REMARK 500 8 G A 8 0.06 SIDE CHAIN
REMARK 500 8 A A 11 0.08 SIDE CHAIN
REMARK 500 9 G A 8 0.06 SIDE CHAIN
REMARK 500 9 A A 11 0.09 SIDE CHAIN
REMARK 500 9 G A 16 0.08 SIDE CHAIN
REMARK 500 10 G A 8 0.05 SIDE CHAIN
REMARK 500 11 G A 12 0.07 SIDE CHAIN
REMARK 500 12 G A 4 0.06 SIDE CHAIN
REMARK 500 12 A A 11 0.07 SIDE CHAIN
REMARK 500 12 G A 12 0.07 SIDE CHAIN
REMARK 500 12 G A 16 0.07 SIDE CHAIN
REMARK 500 13 A A 11 0.08 SIDE CHAIN
REMARK 500 13 G A 16 0.06 SIDE CHAIN
REMARK 500 14 G A 4 0.06 SIDE CHAIN
REMARK 500 14 A A 11 0.08 SIDE CHAIN
REMARK 500 14 G A 12 0.06 SIDE CHAIN
REMARK 500 15 G A 8 0.07 SIDE CHAIN
REMARK 500 15 G A 12 0.07 SIDE CHAIN
REMARK 500 15 G A 16 0.06 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1Z30 A 1 18 PDB 1Z30 1Z30 1 18
SEQRES 1 A 18 G G C G U U C G U U A G A
SEQRES 2 A 18 A C G 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
MODEL 1
Complete list - 2 20 Bytes