Header list of 1u3k.pdb file
Complete list - r 2 2 Bytes
HEADER RNA 22-JUL-04 1U3K
TITLE THE SOLUTION STRUCTURE OF A SUBSTRATE OF ARCHAEAL PRE-TRNA SPLICING
TITLE 2 ENDONUCLEASES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ABISS7;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: RNA WAS PREPARED BY IN VITRO TRANSCRIPTION WITH T7
SOURCE 4 RNA POLYMERASE
KEYWDS BULGE-HELIX-BULGE, RNA
EXPDTA SOLUTION NMR
NUMMDL 10
MDLTYP MINIMIZED AVERAGE
AUTHOR E.C.POLLOCK,P.B.MOORE
REVDAT 3 02-MAR-22 1U3K 1 REMARK
REVDAT 2 24-FEB-09 1U3K 1 VERSN
REVDAT 1 12-JUL-05 1U3K 0
JRNL AUTH E.C.POLLOCK,P.B.MOORE
JRNL TITL THE SOLUTION STRUCTURE OF A SUBSTRATE OF ARCHAEAL PRE-TRNA
JRNL TITL 2 SPLICING ENDONUCLEASES
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH J.L.DIENER,P.B.MOORE
REMARK 1 TITL SOLUTION STRUCTURE OF A SUBSTRATE FOR THE ARCHAEAL PRE-TRNA
REMARK 1 TITL 2 SPLICING ENDONUCLEASES: THE BULGE-HELIX-BULGE MOTIF
REMARK 1 REF MOL.CELL V. 1 883 1998
REMARK 1 REFN ISSN 1097-2765
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.0
REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, DELANO, GROS, GROSS
REMARK 3 -KUNSTLEVE, JIANG, KUSZEWSKI, NILGES, PANNU, READ,
REMARK 3 RICE, SIMONSON, WARREN
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1U3K COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-AUG-04.
REMARK 100 THE DEPOSITION ID IS D_1000023200.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 7
REMARK 210 IONIC STRENGTH : 95MM
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : RNA MOLECULE, 1-2MM IN 80MM
REMARK 210 NACL, 5MM PHOSPATE BUFFER PH 7,
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY-HSQC; HCCH-COSY; ETC
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITYPLUS
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 97, SPARKY 3.0
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 65
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY, STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED WITH RESIDUAL DIPOLAR
REMARK 210 COUPLING DATA
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
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 1 G A 1 N1 G A 1 C2 -0.051
REMARK 500 1 G A 2 N1 G A 2 C2 -0.056
REMARK 500 1 G A 3 N1 G A 3 C2 -0.050
REMARK 500 1 G A 5 N1 G A 5 C2 -0.053
REMARK 500 1 C A 10 C4 C A 10 N4 -0.058
REMARK 500 1 G A 12 N1 G A 12 C2 -0.056
REMARK 500 1 G A 14 N1 G A 14 C2 -0.057
REMARK 500 1 G A 15 N1 G A 15 C2 -0.049
REMARK 500 1 C A 17 C4 C A 17 N4 -0.056
REMARK 500 1 G A 18 N1 G A 18 C2 -0.091
REMARK 500 1 G A 18 C2 G A 18 N3 -0.049
REMARK 500 1 G A 18 C2 G A 18 N2 -0.066
REMARK 500 1 G A 20 N1 G A 20 C2 -0.055
REMARK 500 1 G A 22 N1 G A 22 C2 -0.054
REMARK 500 1 C A 25 C4 C A 25 N4 -0.063
REMARK 500 1 G A 26 N1 G A 26 C2 -0.058
REMARK 500 1 G A 27 N1 G A 27 C2 -0.049
REMARK 500 1 G A 29 N1 G A 29 C2 -0.059
REMARK 500 1 C A 36 C4 C A 36 N4 -0.056
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 1 G A 1 N1 - C2 - N3 ANGL. DEV. = 4.8 DEGREES
REMARK 500 1 G A 1 N1 - C2 - N2 ANGL. DEV. = -5.7 DEGREES
REMARK 500 1 G A 2 N1 - C2 - N3 ANGL. DEV. = 4.9 DEGREES
REMARK 500 1 G A 2 N1 - C2 - N2 ANGL. DEV. = -6.5 DEGREES
REMARK 500 1 G A 3 N1 - C2 - N3 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 3 N1 - C2 - N2 ANGL. DEV. = -5.7 DEGREES
REMARK 500 1 G A 5 N1 - C2 - N3 ANGL. DEV. = 5.0 DEGREES
REMARK 500 1 G A 5 N1 - C2 - N2 ANGL. DEV. = -6.4 DEGREES
REMARK 500 1 A A 6 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 A A 6 N1 - C6 - N6 ANGL. DEV. = -8.8 DEGREES
REMARK 500 1 A A 6 C5 - C6 - N6 ANGL. DEV. = 5.3 DEGREES
REMARK 500 1 C A 7 N3 - C4 - C5 ANGL. DEV. = 4.3 DEGREES
REMARK 500 1 C A 9 C2 - N3 - C4 ANGL. DEV. = -3.6 DEGREES
REMARK 500 1 C A 9 N3 - C4 - C5 ANGL. DEV. = 4.8 DEGREES
REMARK 500 1 C A 9 N3 - C4 - N4 ANGL. DEV. = -5.9 DEGREES
REMARK 500 1 C A 10 N3 - C4 - C5 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 C A 10 N3 - C4 - N4 ANGL. DEV. = -5.0 DEGREES
REMARK 500 1 A A 11 C4 - C5 - C6 ANGL. DEV. = -3.1 DEGREES
REMARK 500 1 A A 11 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 A A 11 N1 - C6 - N6 ANGL. DEV. = -11.3 DEGREES
REMARK 500 1 A A 11 C5 - C6 - N6 ANGL. DEV. = 7.8 DEGREES
REMARK 500 1 G A 12 N1 - C2 - N3 ANGL. DEV. = 4.8 DEGREES
REMARK 500 1 G A 12 N1 - C2 - N2 ANGL. DEV. = -6.9 DEGREES
REMARK 500 1 A A 13 C5' - C4' - O4' ANGL. DEV. = 9.1 DEGREES
REMARK 500 1 A A 13 C2' - C3' - O3' ANGL. DEV. = 11.9 DEGREES
REMARK 500 1 A A 13 C4' - C3' - C2' ANGL. DEV. = -8.1 DEGREES
REMARK 500 1 A A 13 N9 - C1' - C2' ANGL. DEV. = 8.1 DEGREES
REMARK 500 1 A A 13 O4' - C1' - N9 ANGL. DEV. = -10.0 DEGREES
REMARK 500 1 A A 13 C5 - C6 - N1 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 A A 13 N1 - C6 - N6 ANGL. DEV. = -10.8 DEGREES
REMARK 500 1 A A 13 C5 - C6 - N6 ANGL. DEV. = 6.7 DEGREES
REMARK 500 1 G A 14 N1 - C2 - N3 ANGL. DEV. = 4.8 DEGREES
REMARK 500 1 G A 14 C2 - N3 - C4 ANGL. DEV. = -3.4 DEGREES
REMARK 500 1 G A 14 N1 - C2 - N2 ANGL. DEV. = -8.0 DEGREES
REMARK 500 1 G A 15 N1 - C2 - N3 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 15 N1 - C6 - O6 ANGL. DEV. = -3.6 DEGREES
REMARK 500 1 C A 17 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 C A 17 C2 - N3 - C4 ANGL. DEV. = -3.8 DEGREES
REMARK 500 1 C A 17 N3 - C4 - C5 ANGL. DEV. = 5.2 DEGREES
REMARK 500 1 G A 18 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 G A 18 N1 - C2 - N3 ANGL. DEV. = 8.5 DEGREES
REMARK 500 1 G A 18 C2 - N3 - C4 ANGL. DEV. = -5.0 DEGREES
REMARK 500 1 G A 18 N1 - C2 - N2 ANGL. DEV. = -12.6 DEGREES
REMARK 500 1 A A 19 C5 - C6 - N1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 A A 19 N1 - C6 - N6 ANGL. DEV. = -11.0 DEGREES
REMARK 500 1 A A 19 C5 - C6 - N6 ANGL. DEV. = 7.3 DEGREES
REMARK 500 1 G A 20 N1 - C2 - N3 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 20 N1 - C2 - N2 ANGL. DEV. = -6.5 DEGREES
REMARK 500 1 G A 20 N1 - C6 - O6 ANGL. DEV. = -3.8 DEGREES
REMARK 500 1 A A 21 N9 - C1' - C2' ANGL. DEV. = 11.1 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 107 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 A A 6 0.09 SIDE CHAIN
REMARK 500 1 U A 8 0.11 SIDE CHAIN
REMARK 500 1 C A 9 0.07 SIDE CHAIN
REMARK 500 1 A A 11 0.06 SIDE CHAIN
REMARK 500 1 G A 12 0.10 SIDE CHAIN
REMARK 500 1 A A 13 0.08 SIDE CHAIN
REMARK 500 1 G A 14 0.14 SIDE CHAIN
REMARK 500 1 C A 17 0.07 SIDE CHAIN
REMARK 500 1 G A 18 0.27 SIDE CHAIN
REMARK 500 1 A A 19 0.09 SIDE CHAIN
REMARK 500 1 A A 21 0.12 SIDE CHAIN
REMARK 500 1 C A 24 0.09 SIDE CHAIN
REMARK 500 1 C A 25 0.11 SIDE CHAIN
REMARK 500 1 G A 27 0.16 SIDE CHAIN
REMARK 500 1 A A 28 0.07 SIDE CHAIN
REMARK 500 1 A A 30 0.06 SIDE CHAIN
REMARK 500 2 G A 3 0.07 SIDE CHAIN
REMARK 500 2 A A 6 0.06 SIDE CHAIN
REMARK 500 2 C A 7 0.07 SIDE CHAIN
REMARK 500 2 U A 8 0.14 SIDE CHAIN
REMARK 500 2 C A 9 0.07 SIDE CHAIN
REMARK 500 2 C A 10 0.09 SIDE CHAIN
REMARK 500 2 A A 11 0.07 SIDE CHAIN
REMARK 500 2 A A 13 0.16 SIDE CHAIN
REMARK 500 2 G A 14 0.15 SIDE CHAIN
REMARK 500 2 C A 17 0.13 SIDE CHAIN
REMARK 500 2 G A 18 0.18 SIDE CHAIN
REMARK 500 2 A A 19 0.10 SIDE CHAIN
REMARK 500 2 G A 20 0.10 SIDE CHAIN
REMARK 500 2 A A 21 0.17 SIDE CHAIN
REMARK 500 2 C A 25 0.14 SIDE CHAIN
REMARK 500 2 G A 26 0.11 SIDE CHAIN
REMARK 500 2 G A 27 0.20 SIDE CHAIN
REMARK 500 2 A A 28 0.06 SIDE CHAIN
REMARK 500 2 A A 32 0.05 SIDE CHAIN
REMARK 500 2 C A 34 0.07 SIDE CHAIN
REMARK 500 2 C A 37 0.08 SIDE CHAIN
REMARK 500 3 A A 6 0.05 SIDE CHAIN
REMARK 500 3 C A 9 0.10 SIDE CHAIN
REMARK 500 3 C A 10 0.20 SIDE CHAIN
REMARK 500 3 A A 13 0.14 SIDE CHAIN
REMARK 500 3 G A 14 0.17 SIDE CHAIN
REMARK 500 3 C A 17 0.13 SIDE CHAIN
REMARK 500 3 G A 18 0.18 SIDE CHAIN
REMARK 500 3 A A 19 0.10 SIDE CHAIN
REMARK 500 3 G A 20 0.10 SIDE CHAIN
REMARK 500 3 A A 21 0.17 SIDE CHAIN
REMARK 500 3 C A 25 0.16 SIDE CHAIN
REMARK 500 3 G A 26 0.14 SIDE CHAIN
REMARK 500 3 G A 27 0.18 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 174 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 2A9L RELATED DB: PDB
REMARK 900 THE SAME RNA, PREVIOUS PUBLICATION
REMARK 900 RELATED ID: 1A9L RELATED DB: PDB
REMARK 900 THE SAME RNA, PREVIOUS PUBLICATION
DBREF 1U3K A 1 38 PDB 1U3K 1U3K 1 38
SEQRES 1 A 38 G G G U G A C U C C A G A
SEQRES 2 A 38 G G U C G A G A G A C C G
SEQRES 3 A 38 G A G A U A U C A C 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 - r 2 2 Bytes