Header list of 1k4a.pdb file
Complete list - 23 20 Bytes
HEADER RNA 07-OCT-01 1K4A
TITLE STRUCTURE OF AGAA RNA TETRALOOP, NMR, 20 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*GP*GP*UP*UP*CP*AP*GP*AP*AP*GP*AP*AP*CP*C)-3';
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: AN RNA HAIRPIN WITH AGAA TETRALOOP, THE PRIMARY
COMPND 6 RECOGNITION SITE FOR S. CEREVISIAE RNASE III.
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS RIBONUCLEIC ACID, TETRALOOP, RNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR H.WU,P.K.YANG,S.E.BUTCHER,S.KANG,G.CHANFREAU,J.FEIGON
REVDAT 3 23-FEB-22 1K4A 1 REMARK
REVDAT 2 24-FEB-09 1K4A 1 VERSN
REVDAT 1 19-DEC-01 1K4A 0
JRNL AUTH H.WU,P.K.YANG,S.E.BUTCHER,S.KANG,G.CHANFREAU,J.FEIGON
JRNL TITL A NOVEL FAMILY OF RNA TETRALOOP STRUCTURE FORMS THE
JRNL TITL 2 RECOGNITION SITE FOR SACCHAROMYCES CEREVISIAE RNASE III.
JRNL REF EMBO J. V. 20 7240 2001
JRNL REFN ISSN 0261-4189
JRNL PMID 11743000
JRNL DOI 10.1093/EMBOJ/20.24.7240
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, X-PLOR 3.1
REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF
REMARK 3 326 RESTRAINTS, 300 ARE NOE-DERIVED DISTANCE RESTRAINTS, 54
REMARK 3 DIHEDRAL ANGLE RESTRAINTS. ADDITIONAL 26 DISTANCE RESTRAINTS
REMARK 3 FROM HYDROGEN BONDS ARE USED IN THE STEM REGION.
REMARK 4
REMARK 4 1K4A COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-OCT-01.
REMARK 100 THE DEPOSITION ID IS D_1000014542.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 274; 293
REMARK 210 PH : 6.3; 6.3
REMARK 210 IONIC STRENGTH : 10MM; 10MM
REMARK 210 PRESSURE : 1 ATM; 1 ATM
REMARK 210 SAMPLE CONTENTS : 2MM RNA HAIRPIN, 10MM NACL, PH
REMARK 210 6.3, 90% H2O, 10% D2O; 2MM RNA
REMARK 210 HAIRPIN, 10MM NACL, PH 6.3, 90%
REMARK 210 H2O, 10% D2O; 1MM 13C/15N
REMARK 210 LABELED RNA HAIRPIN, 10MM NACL,
REMARK 210 PH 6.3, 99.99% D2O; 1MM 13C/15N
REMARK 210 LABELED RNA HAIRPIN,10MM NACL,
REMARK 210 PH 6.3, 99.99% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_13C-SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX; AMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 2000
REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
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: 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 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A A 6 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 G A 7 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 G A 7 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 G A 10 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 10 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A A 11 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 A A 6 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 G A 7 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 7 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 G A 10 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 10 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 A A 11 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 3 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 3 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 3 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 3 A A 6 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 G A 7 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 3 G A 7 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 3 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 3 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 G A 10 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 10 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 3 A A 11 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 4 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 4 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 4 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 4 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 4 A A 6 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 4 G A 7 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 4 G A 7 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 4 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 4 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 4 G A 10 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 4 G A 10 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 274 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1K4B RELATED DB: PDB
REMARK 900 STRUCTURE OF AGUU RNA TETRALOOP, NMR, 20 STRUCTURES
DBREF 1K4A A 1 14 PDB 1K4A 1K4A 1 14
SEQRES 1 A 14 G G U U C A G A A G A A C
SEQRES 2 A 14 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 - 23 20 Bytes