Header list of 1k6g.pdb file
Complete list - b 23 2 Bytes
HEADER RNA 16-OCT-01 1K6G
TITLE SOLUTION STRUCTURE OF CONSERVED AGNN TETRALOOPS: INSIGHTS INTO RNT1P
TITLE 2 RNA PROCESSING
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA (5'-
COMPND 3 R(P*GP*GP*CP*GP*UP*CP*AP*UP*GP*AP*GP*UP*CP*CP*AP*UP*GP*GP*CP*GP*CP*C)
COMPND 4 -3');
COMPND 5 CHAIN: A;
COMPND 6 ENGINEERED: YES;
COMPND 7 OTHER_DETAILS: AGNN TETRALOOP, SUBSTRATE FOR RNT1P
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: SYNTHETIC-T7 RNA TRANSCRIPT
KEYWDS RNA TETRALOOP, RNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR I.LEBARS,B.LAMONTAGNE,S.YOSHIZAWA,S.ABOU ELELA,D.FOURMY
REVDAT 4 23-FEB-22 1K6G 1 REMARK
REVDAT 3 24-FEB-09 1K6G 1 VERSN
REVDAT 2 01-APR-03 1K6G 1 JRNL
REVDAT 1 19-DEC-01 1K6G 0
JRNL AUTH I.LEBARS,B.LAMONTAGNE,S.YOSHIZAWA,S.ABOUL-ELELA,D.FOURMY
JRNL TITL SOLUTION STRUCTURE OF CONSERVED AGNN TETRALOOPS: INSIGHTS
JRNL TITL 2 INTO RNT1P RNA PROCESSING.
JRNL REF EMBO J. V. 20 7250 2001
JRNL REFN ISSN 0261-4189
JRNL PMID 11743001
JRNL DOI 10.1093/EMBOJ/20.24.7250
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR, DISCOVER
REMARK 3 AUTHORS : MOLECULAR SIMULATIONS INC. (DISCOVER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1K6G COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-OCT-01.
REMARK 100 THE DEPOSITION ID IS D_1000014619.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293; 278; 293; 278
REMARK 210 PH : 6.4; 6.4; 6.4; 6.4
REMARK 210 IONIC STRENGTH : 10 MM NA PHOSPHATE; 10 MM NA
REMARK 210 PHOSPHATE; 10 MM NA PHOSPHATE;
REMARK 210 10 MM NA PHOSPHATE
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT;
REMARK 210 AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM RNA, 10MM NA PHOSPHATE, PH
REMARK 210 6.4; 1MM RNA, 10MM NA PHOSPHATE,
REMARK 210 PH 6.4; 1MM RNA, 15N,13C, 10MM
REMARK 210 NA PHOSPHATE, PH 6.4; 1MM RNA,
REMARK 210 15N,13C, 10MM NA PHOSPHATE, PH
REMARK 210 6.4
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D DQF-COSY; 2D TOCSY;
REMARK 210 3D NOESY-HMQC; 3D HCCH-TOCSY; HP
REMARK 210 COSY; HSQC; 3D HCP; HNN COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR, AURELIA, DISCOVER
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 25
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 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 11 O4' - C1' - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 C A 14 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 C A 19 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 C A 6 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 11 O4' - C1' - N9 ANGL. DEV. = 4.9 DEGREES
REMARK 500 2 C A 13 O4' - C1' - N1 ANGL. DEV. = 5.4 DEGREES
REMARK 500 2 C A 14 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 2 C A 19 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 C A 6 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 3 G A 11 O4' - C1' - N9 ANGL. DEV. = 4.9 DEGREES
REMARK 500 3 U A 12 O4' - C1' - N1 ANGL. DEV. = 5.3 DEGREES
REMARK 500 3 C A 13 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES
REMARK 500 3 C A 14 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 C A 19 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 4 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 4 C A 6 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 4 G A 11 O4' - C1' - N9 ANGL. DEV. = 5.2 DEGREES
REMARK 500 4 C A 13 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 4 C A 14 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 4 U A 16 O4' - C1' - N1 ANGL. DEV. = 5.4 DEGREES
REMARK 500 4 G A 17 O4' - C1' - N9 ANGL. DEV. = 5.2 DEGREES
REMARK 500 4 C A 19 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 4 C A 21 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 5 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 5 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 5 G A 11 O4' - C1' - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 5 C A 13 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 5 C A 19 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 5 C A 21 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 6 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 6 C A 6 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 6 G A 11 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 6 U A 12 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 6 C A 14 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 6 C A 19 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 6 C A 21 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 7 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 7 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 7 C A 6 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 7 G A 11 O4' - C1' - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 7 C A 14 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 7 C A 19 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 8 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 8 U A 5 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 8 G A 11 O4' - C1' - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 8 C A 13 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 136 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 4 0.07 SIDE CHAIN
REMARK 500 1 A A 7 0.07 SIDE CHAIN
REMARK 500 1 A A 10 0.06 SIDE CHAIN
REMARK 500 1 G A 20 0.08 SIDE CHAIN
REMARK 500 2 G A 4 0.07 SIDE CHAIN
REMARK 500 2 A A 7 0.08 SIDE CHAIN
REMARK 500 2 A A 10 0.07 SIDE CHAIN
REMARK 500 2 G A 18 0.07 SIDE CHAIN
REMARK 500 2 G A 20 0.08 SIDE CHAIN
REMARK 500 3 G A 2 0.06 SIDE CHAIN
REMARK 500 3 G A 4 0.07 SIDE CHAIN
REMARK 500 3 A A 7 0.09 SIDE CHAIN
REMARK 500 3 U A 8 0.07 SIDE CHAIN
REMARK 500 3 A A 10 0.07 SIDE CHAIN
REMARK 500 3 G A 11 0.07 SIDE CHAIN
REMARK 500 3 U A 12 0.10 SIDE CHAIN
REMARK 500 3 G A 18 0.06 SIDE CHAIN
REMARK 500 3 G A 20 0.09 SIDE CHAIN
REMARK 500 4 A A 7 0.07 SIDE CHAIN
REMARK 500 4 G A 20 0.07 SIDE CHAIN
REMARK 500 5 A A 7 0.08 SIDE CHAIN
REMARK 500 5 A A 10 0.06 SIDE CHAIN
REMARK 500 5 G A 18 0.06 SIDE CHAIN
REMARK 500 6 G A 4 0.06 SIDE CHAIN
REMARK 500 6 A A 7 0.07 SIDE CHAIN
REMARK 500 6 G A 20 0.08 SIDE CHAIN
REMARK 500 7 G A 4 0.07 SIDE CHAIN
REMARK 500 7 A A 7 0.07 SIDE CHAIN
REMARK 500 7 G A 18 0.06 SIDE CHAIN
REMARK 500 7 G A 20 0.09 SIDE CHAIN
REMARK 500 8 A A 7 0.06 SIDE CHAIN
REMARK 500 8 A A 10 0.06 SIDE CHAIN
REMARK 500 8 G A 17 0.06 SIDE CHAIN
REMARK 500 9 G A 11 0.05 SIDE CHAIN
REMARK 500 9 G A 17 0.07 SIDE CHAIN
REMARK 500 9 G A 20 0.07 SIDE CHAIN
REMARK 500 10 A A 7 0.06 SIDE CHAIN
REMARK 500 10 G A 20 0.08 SIDE CHAIN
REMARK 500 11 A A 7 0.06 SIDE CHAIN
REMARK 500 11 G A 18 0.07 SIDE CHAIN
REMARK 500 11 G A 20 0.07 SIDE CHAIN
REMARK 500 12 G A 11 0.07 SIDE CHAIN
REMARK 500 12 G A 20 0.07 SIDE CHAIN
REMARK 500 13 A A 7 0.08 SIDE CHAIN
REMARK 500 13 A A 10 0.07 SIDE CHAIN
REMARK 500 13 U A 12 0.07 SIDE CHAIN
REMARK 500 13 C A 13 0.06 SIDE CHAIN
REMARK 500 13 G A 18 0.07 SIDE CHAIN
REMARK 500 14 A A 7 0.07 SIDE CHAIN
REMARK 500 14 G A 18 0.06 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 72 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1K6H RELATED DB: PDB
REMARK 900 AGNN TETRALOOP STRUCTURE
DBREF 1K6G A 1 22 PDB 1K6G 1K6G 1 22
SEQRES 1 A 22 G G C G U C A U G A G U C
SEQRES 2 A 22 C A U G G C G 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
MODEL 1
Complete list - b 23 2 Bytes