Header list of 1i4c.pdb file
Complete list - 23 202 Bytes
HEADER RNA 20-FEB-01 1I4C
TITLE THE SOLUTION STRUCTURE OF THE MINOR FAMILY OF THE MUTANT STEM LOOP C
TITLE 2 5'UUA3' TRILOOP OF BROME MOSAIC VIRUS (+) STRAND RNA
CAVEAT 1I4C INCORRECT CARBON CHIRAL CENTER(S)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA (5'-R(*GP*GP*UP*GP*CP*UP*UP*AP*GP*CP*AP*CP*C)-3');
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: THE MINOR STRUCTURAL FAMILY OF 5'UUA3' MUTANT TRILOOP.
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS SEQUENCE IS A MUTANT TRILOOP OF WHICH WILD TYPE
SOURCE 4 SEQUENCE IS NATURALLY OCCURED IN BMV (+) STRAND RNA
KEYWDS RNA, STEM-LOOP, TRILOOP, REPLICATION, BMV, VIRUS
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR I.TINOCO JR.,C.-H.KIM
REVDAT 4 23-FEB-22 1I4C 1 REMARK ATOM
REVDAT 3 24-FEB-09 1I4C 1 VERSN
REVDAT 2 01-APR-03 1I4C 1 JRNL
REVDAT 1 21-APR-01 1I4C 0
JRNL AUTH C.H.KIM,I.TINOCO JR.
JRNL TITL STRUCTURAL AND THERMODYNAMIC STUDIES ON MUTANT RNA MOTIFS
JRNL TITL 2 THAT IMPAIR THE SPECIFICITY BETWEEN A VIRAL REPLICASE AND
JRNL TITL 3 ITS PROMOTER.
JRNL REF J.MOL.BIOL. V. 307 827 2001
JRNL REFN ISSN 0022-2836
JRNL PMID 11273704
JRNL DOI 10.1006/JMBI.2001.4497
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH C.C.KAO
REMARK 1 TITL RNA MOTIFS THAT DETERMINE SPECIFICITY BETWEEN A VIRAL
REMARK 1 TITL 2 REPLICASE AND ITS PROMOTER
REMARK 1 REF NAT.STRUCT.BIOL. V. 7 415 2000
REMARK 1 REFN ISSN 1072-8368
REMARK 1 DOI 10.1038/75202
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : FELIX 95, X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER, A. (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1I4C COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-FEB-01.
REMARK 100 THE DEPOSITION ID IS D_1000012887.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 283
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 5MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2MM 5'UUA3' TRILOOP, UNLABELED,
REMARK 210 5MM SODIUM PHOSPHATE BUFFER PH
REMARK 210 6.5
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE; AMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR 3.1
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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: 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' A A 11 O4' C A 12 1.52
REMARK 500 HO2' G A 9 OP1 C A 10 1.59
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 G A 1 O5' G A 1 C5' 18.176
REMARK 500 G A 1 C4' G A 1 C3' 18.609
REMARK 500 G A 1 C2' G A 1 C1' 18.823
REMARK 500 G A 1 C1' G A 1 N9 18.934
REMARK 500 G A 1 C2' G A 1 O2' 18.854
REMARK 500 C A 10 P C A 10 OP2 18.088
REMARK 500 C A 13 O3' C A 13 C3' 19.005
REMARK 500 C A 13 C2' C A 13 O2' 18.253
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 G A 1 O5' - C5' - C4' ANGL. DEV. = -8.3 DEGREES
REMARK 500 G A 1 C5' - C4' - C3' ANGL. DEV. = -32.9 DEGREES
REMARK 500 G A 1 C4' - C3' - O3' ANGL. DEV. = -13.4 DEGREES
REMARK 500 G A 1 C3' - C2' - C1' ANGL. DEV. = -21.0 DEGREES
REMARK 500 G A 1 N9 - C1' - C2' ANGL. DEV. = 105.0 DEGREES
REMARK 500 G A 1 C1' - C2' - O2' ANGL. DEV. = 103.7 DEGREES
REMARK 500 G A 1 C3' - C2' - O2' ANGL. DEV. = -32.5 DEGREES
REMARK 500 G A 1 C8 - N9 - C1' ANGL. DEV. = -54.4 DEGREES
REMARK 500 G A 1 C4 - N9 - C1' ANGL. DEV. = -51.9 DEGREES
REMARK 500 C A 10 O3' - P - OP2 ANGL. DEV. = -60.4 DEGREES
REMARK 500 C A 10 OP1 - P - OP2 ANGL. DEV. = -34.4 DEGREES
REMARK 500 C A 10 O5' - P - OP2 ANGL. DEV. = -31.6 DEGREES
REMARK 500 C A 13 C4' - C3' - O3' ANGL. DEV. = -82.8 DEGREES
REMARK 500 C A 13 C2' - C3' - O3' ANGL. DEV. = -21.6 DEGREES
REMARK 500 C A 13 C1' - C2' - O2' ANGL. DEV. = -98.5 DEGREES
REMARK 500 C A 13 C3' - C2' - O2' ANGL. DEV. = -18.4 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 G A 1 1.09 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1ESH RELATED DB: PDB
REMARK 900 THE SOLUTION STRUCTURE OF THE WILD TYPE STEM LOOP C 5'AUA3' TRILOOP
REMARK 900 OF BROME MOSAIC VIRUS (+) RNA.
REMARK 900 RELATED ID: 1I46 RELATED DB: PDB
REMARK 900 THE SOLUTION STRUCTURE OF THE MUTANT STEM LOOP C 5'GUA3' TRILOOP OF
REMARK 900 BROME MOSAIC VIRUS (+) RNA
REMARK 900 RELATED ID: 1I4B RELATED DB: PDB
REMARK 900 THE SOLUTION STRUCTURE OF THE MAJOR FAMILY OF THE MUTANT STEM LOOP
REMARK 900 C 5'UUA3' TRILOOP OF BROME MOSAIC VIRUS (+) RNA
DBREF 1I4C A 1 13 PDB 1I4C 1I4C 1 13
SEQRES 1 A 13 G G U G C U U A G C A 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
Complete list - 23 202 Bytes