Header list of 1fhk.pdb file
Complete list - 23 20 Bytes
HEADER RNA 01-AUG-00 1FHK
TITLE NMR STRUCTURE OF THE 690 LOOP OF 16 S RRNA OF E. COLI
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA (5'-R(*GP*GP*CP*GP*GP*UP*GP*AP*AP*AP*UP*GP*CP*C)-3');
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: T7 RNA POLYMERASE RUN-OFF TRANSCRIPTION AND CHEMICAL
SOURCE 4 SYNTHESIS
KEYWDS 690 LOOP OF 16S, RIBOSOMAL RNA, RNA
EXPDTA SOLUTION NMR
NUMMDL 15
AUTHOR S.V.MOROSYUK,P.R.CUNNINGHAM,J.SANTALUCIA JR.
REVDAT 3 23-FEB-22 1FHK 1 REMARK
REVDAT 2 24-FEB-09 1FHK 1 VERSN
REVDAT 1 21-MAR-01 1FHK 0
JRNL AUTH S.V.MOROSYUK,P.R.CUNNINGHAM,J.SANTALUCIA JR.
JRNL TITL STRUCTURE AND FUNCTION OF THE CONSERVED 690 HAIRPIN IN
JRNL TITL 2 ESCHERICHIA COLI 16 S RIBOSOMAL RNA. II. NMR SOLUTION
JRNL TITL 3 STRUCTURE.
JRNL REF J.MOL.BIOL. V. 307 197 2001
JRNL REFN ISSN 0022-2836
JRNL PMID 11243814
JRNL DOI 10.1006/JMBI.2000.4431
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : AMBER 5.0
REMARK 3 AUTHORS : CASE, D.A. ET. AL.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: IN WATER WITH COUNTERIONS USING PME
REMARK 4
REMARK 4 1FHK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-AUG-00.
REMARK 100 THE DEPOSITION ID IS D_1000011593.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 289
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 0.05 M
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : AMBER 5.0, X-PLOR 3.1
REMARK 210 METHOD USED : DISTANCE GEOMETRY
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 40
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 13
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 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 4 C A 3 N3 C A 3 C4 0.063
REMARK 500 4 C A 3 C4 C A 3 C5 -0.085
REMARK 500 8 C A 3 N3 C A 3 C4 -0.047
REMARK 500 10 C A 14 N3 C A 14 C4 0.054
REMARK 500 10 C A 14 C4 C A 14 C5 -0.078
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 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 1 U A 6 C4' - C3' - C2' ANGL. DEV. = -6.6 DEGREES
REMARK 500 1 U A 6 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES
REMARK 500 1 A A 8 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 A A 8 N1 - C6 - N6 ANGL. DEV. = -3.9 DEGREES
REMARK 500 1 A A 9 C5 - C6 - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 1 A A 9 N1 - C6 - N6 ANGL. DEV. = -3.7 DEGREES
REMARK 500 1 A A 10 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 A A 10 C4 - C5 - C6 ANGL. DEV. = -3.4 DEGREES
REMARK 500 1 A A 10 C5 - C6 - N1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 A A 10 N1 - C6 - N6 ANGL. DEV. = -5.1 DEGREES
REMARK 500 2 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 2 U A 6 C4' - C3' - C2' ANGL. DEV. = -6.6 DEGREES
REMARK 500 2 U A 6 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES
REMARK 500 2 A A 8 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 2 A A 8 N1 - C6 - N6 ANGL. DEV. = -3.9 DEGREES
REMARK 500 2 A A 9 C5 - C6 - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 2 A A 9 N1 - C6 - N6 ANGL. DEV. = -3.7 DEGREES
REMARK 500 2 A A 10 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 2 A A 10 C4 - C5 - C6 ANGL. DEV. = -3.4 DEGREES
REMARK 500 2 A A 10 C5 - C6 - N1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 2 A A 10 N1 - C6 - N6 ANGL. DEV. = -5.1 DEGREES
REMARK 500 3 C A 3 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 3 U A 6 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 3 A A 8 C4 - C5 - C6 ANGL. DEV. = -3.5 DEGREES
REMARK 500 3 A A 8 C5 - C6 - N1 ANGL. DEV. = 3.9 DEGREES
REMARK 500 3 A A 8 N1 - C6 - N6 ANGL. DEV. = -6.1 DEGREES
REMARK 500 3 A A 10 C5 - C6 - N1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 U A 11 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 C A 14 N3 - C2 - O2 ANGL. DEV. = -5.6 DEGREES
REMARK 500 4 C A 3 O4' - C1' - N1 ANGL. DEV. = 7.2 DEGREES
REMARK 500 4 C A 3 N3 - C4 - N4 ANGL. DEV. = -6.8 DEGREES
REMARK 500 4 C A 3 C5 - C4 - N4 ANGL. DEV. = 5.2 DEGREES
REMARK 500 4 U A 6 C4' - C3' - C2' ANGL. DEV. = -6.2 DEGREES
REMARK 500 4 A A 8 C4 - C5 - C6 ANGL. DEV. = -3.0 DEGREES
REMARK 500 4 A A 8 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 4 A A 8 N1 - C6 - N6 ANGL. DEV. = -4.9 DEGREES
REMARK 500 4 A A 9 C5 - C6 - N1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 4 A A 9 N1 - C6 - N6 ANGL. DEV. = -4.3 DEGREES
REMARK 500 4 A A 10 C5 - C6 - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 4 A A 10 N1 - C6 - N6 ANGL. DEV. = -3.7 DEGREES
REMARK 500 4 U A 11 O4' - C1' - N1 ANGL. DEV. = 8.3 DEGREES
REMARK 500 4 U A 11 C5 - C6 - N1 ANGL. DEV. = -3.1 DEGREES
REMARK 500 4 C A 13 N3 - C2 - O2 ANGL. DEV. = -4.6 DEGREES
REMARK 500 5 C A 3 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES
REMARK 500 5 C A 3 N3 - C2 - O2 ANGL. DEV. = -5.0 DEGREES
REMARK 500 5 U A 6 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 5 A A 8 C4 - C5 - C6 ANGL. DEV. = -3.1 DEGREES
REMARK 500 5 A A 8 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 5 A A 8 N1 - C6 - N6 ANGL. DEV. = -5.0 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 176 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 1 0.09 SIDE CHAIN
REMARK 500 1 G A 5 0.08 SIDE CHAIN
REMARK 500 1 U A 6 0.07 SIDE CHAIN
REMARK 500 1 C A 13 0.07 SIDE CHAIN
REMARK 500 2 G A 1 0.09 SIDE CHAIN
REMARK 500 2 G A 5 0.08 SIDE CHAIN
REMARK 500 2 U A 6 0.07 SIDE CHAIN
REMARK 500 2 C A 13 0.07 SIDE CHAIN
REMARK 500 3 G A 1 0.07 SIDE CHAIN
REMARK 500 3 G A 4 0.09 SIDE CHAIN
REMARK 500 3 G A 5 0.06 SIDE CHAIN
REMARK 500 3 G A 7 0.08 SIDE CHAIN
REMARK 500 3 C A 14 0.14 SIDE CHAIN
REMARK 500 4 G A 5 0.07 SIDE CHAIN
REMARK 500 4 G A 7 0.07 SIDE CHAIN
REMARK 500 4 G A 12 0.13 SIDE CHAIN
REMARK 500 5 G A 5 0.09 SIDE CHAIN
REMARK 500 5 G A 7 0.08 SIDE CHAIN
REMARK 500 5 G A 12 0.08 SIDE CHAIN
REMARK 500 5 C A 13 0.09 SIDE CHAIN
REMARK 500 5 C A 14 0.06 SIDE CHAIN
REMARK 500 6 G A 1 0.12 SIDE CHAIN
REMARK 500 6 G A 2 0.06 SIDE CHAIN
REMARK 500 6 G A 7 0.09 SIDE CHAIN
REMARK 500 6 C A 13 0.09 SIDE CHAIN
REMARK 500 7 G A 2 0.05 SIDE CHAIN
REMARK 500 7 G A 4 0.05 SIDE CHAIN
REMARK 500 7 G A 5 0.06 SIDE CHAIN
REMARK 500 7 G A 7 0.08 SIDE CHAIN
REMARK 500 7 C A 13 0.10 SIDE CHAIN
REMARK 500 8 G A 1 0.11 SIDE CHAIN
REMARK 500 8 G A 5 0.10 SIDE CHAIN
REMARK 500 8 U A 6 0.08 SIDE CHAIN
REMARK 500 8 G A 7 0.08 SIDE CHAIN
REMARK 500 8 C A 13 0.07 SIDE CHAIN
REMARK 500 9 C A 3 0.08 SIDE CHAIN
REMARK 500 9 G A 7 0.08 SIDE CHAIN
REMARK 500 9 C A 14 0.10 SIDE CHAIN
REMARK 500 10 G A 1 0.10 SIDE CHAIN
REMARK 500 10 G A 7 0.06 SIDE CHAIN
REMARK 500 10 G A 12 0.12 SIDE CHAIN
REMARK 500 10 C A 13 0.07 SIDE CHAIN
REMARK 500 11 G A 1 0.07 SIDE CHAIN
REMARK 500 11 G A 5 0.12 SIDE CHAIN
REMARK 500 11 U A 6 0.10 SIDE CHAIN
REMARK 500 11 G A 7 0.09 SIDE CHAIN
REMARK 500 11 G A 12 0.14 SIDE CHAIN
REMARK 500 11 C A 14 0.10 SIDE CHAIN
REMARK 500 12 G A 1 0.09 SIDE CHAIN
REMARK 500 12 G A 5 0.10 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 66 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1FHK A 1 14 PDB 1FHK 1FHK 1 14
SEQRES 1 A 14 G G C G G U G A A A U G 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