Header list of 1ato.pdb file
Complete list - 16 20 Bytes
HEADER RNA 14-AUG-97 1ATO
TITLE THE STRUCTURE OF THE ISOLATED, CENTRAL HAIRPIN OF THE HDV ANTIGENOMIC
TITLE 2 RIBOZYME, NMR, 10 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA (5'-
COMPND 3 R(*GP*GP*CP*AP*CP*CP*UP*CP*CP*UP*CP*GP*CP*GP*GP*UP*GP*CP*C)-3');
COMPND 4 CHAIN: A;
COMPND 5 FRAGMENT: CENTRAL HAIRPIN;
COMPND 6 SYNONYM: HEPATITIS DELTA VIRUS RIBOZYME;
COMPND 7 OTHER_DETAILS: RNA
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS DELTA VIRUS;
SOURCE 3 ORGANISM_TAXID: 12475
KEYWDS CENTRAL LOOP, HEPATITIS DELTA VIRUS, RIBOZYME, RNA HAIRPIN, RNA
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR M.H.KOLK,H.A.HEUS,C.W.HILBERS
REVDAT 3 16-FEB-22 1ATO 1 REMARK
REVDAT 2 24-FEB-09 1ATO 1 VERSN
REVDAT 1 12-NOV-97 1ATO 0
JRNL AUTH M.H.KOLK,H.A.HEUS,C.W.HILBERS
JRNL TITL THE STRUCTURE OF THE ISOLATED, CENTRAL HAIRPIN OF THE HDV
JRNL TITL 2 ANTIGENOMIC RIBOZYME: NOVEL STRUCTURAL FEATURES AND
JRNL TITL 3 SIMILARITY OF THE LOOP IN THE RIBOZYME AND FREE IN SOLUTION.
JRNL REF EMBO J. V. 16 3685 1997
JRNL REFN ISSN 0261-4189
JRNL PMID 9218809
JRNL DOI 10.1093/EMBOJ/16.12.3685
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE
REMARK 3 JRNL CITATION ABOVE.
REMARK 4
REMARK 4 1ATO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000171244.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.55
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY-JR; TOCSY; 13C1H-HMQC;
REMARK 210 31P1H-HETCOR; 31P1H-HETERO-HOMO-
REMARK 210 TOCSY; 31P1H-HETERO-TOCSY-NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 400 MHZ; 500 MHZ; 600 MHZ; 750
REMARK 210 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY; AM; AMX
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR 3.1
REMARK 210 METHOD USED : SIMULATED ANNEALING, RESTRAINED
REMARK 210 MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 70
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION,
REMARK 210 LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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 O2 U A 7 H41 C A 13 1.49
REMARK 500 O6 G A 1 H41 C A 19 1.57
REMARK 500 H41 C A 5 O6 G A 15 1.60
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 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 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. = -2.7 DEGREES
REMARK 500 1 A A 4 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 G A 12 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 G A 12 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 1 G A 14 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 G A 14 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 15 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 G A 17 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 17 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 2 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 A A 4 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 C A 11 C3' - C2' - C1' ANGL. DEV. = 4.8 DEGREES
REMARK 500 2 G A 12 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 2 G A 12 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 2 G A 14 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 2 G A 14 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 2 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 15 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 2 G A 17 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 17 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 3 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 3 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 3 A A 4 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 3 G A 12 N7 - C8 - N9 ANGL. DEV. = 4.9 DEGREES
REMARK 500 3 G A 12 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES
REMARK 500 3 G A 14 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 G A 14 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 3 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 15 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 3 G A 17 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 G A 17 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 4 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 4 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 4 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 4 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 4 A A 4 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 4 G A 12 N7 - C8 - N9 ANGL. DEV. = 4.9 DEGREES
REMARK 500 4 G A 12 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 4 G A 14 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 4 G A 14 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 4 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 132 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 0.06 SIDE CHAIN
REMARK 500 1 C A 3 0.06 SIDE CHAIN
REMARK 500 1 A A 4 0.05 SIDE CHAIN
REMARK 500 1 C A 6 0.06 SIDE CHAIN
REMARK 500 1 G A 17 0.05 SIDE CHAIN
REMARK 500 2 G A 1 0.06 SIDE CHAIN
REMARK 500 2 C A 6 0.06 SIDE CHAIN
REMARK 500 2 C A 19 0.06 SIDE CHAIN
REMARK 500 3 G A 1 0.06 SIDE CHAIN
REMARK 500 3 C A 6 0.06 SIDE CHAIN
REMARK 500 3 G A 17 0.05 SIDE CHAIN
REMARK 500 4 G A 1 0.06 SIDE CHAIN
REMARK 500 4 C A 3 0.06 SIDE CHAIN
REMARK 500 4 A A 4 0.05 SIDE CHAIN
REMARK 500 4 C A 6 0.06 SIDE CHAIN
REMARK 500 4 G A 15 0.05 SIDE CHAIN
REMARK 500 4 G A 17 0.05 SIDE CHAIN
REMARK 500 4 C A 18 0.06 SIDE CHAIN
REMARK 500 5 G A 1 0.06 SIDE CHAIN
REMARK 500 5 C A 3 0.06 SIDE CHAIN
REMARK 500 5 C A 6 0.06 SIDE CHAIN
REMARK 500 5 G A 17 0.05 SIDE CHAIN
REMARK 500 5 C A 19 0.06 SIDE CHAIN
REMARK 500 6 G A 1 0.06 SIDE CHAIN
REMARK 500 6 C A 3 0.06 SIDE CHAIN
REMARK 500 6 A A 4 0.05 SIDE CHAIN
REMARK 500 6 G A 17 0.05 SIDE CHAIN
REMARK 500 6 C A 19 0.06 SIDE CHAIN
REMARK 500 7 G A 1 0.05 SIDE CHAIN
REMARK 500 7 C A 6 0.06 SIDE CHAIN
REMARK 500 7 G A 15 0.05 SIDE CHAIN
REMARK 500 7 C A 19 0.06 SIDE CHAIN
REMARK 500 8 G A 1 0.06 SIDE CHAIN
REMARK 500 8 A A 4 0.05 SIDE CHAIN
REMARK 500 8 C A 5 0.06 SIDE CHAIN
REMARK 500 8 C A 6 0.06 SIDE CHAIN
REMARK 500 8 G A 15 0.05 SIDE CHAIN
REMARK 500 8 C A 19 0.06 SIDE CHAIN
REMARK 500 9 G A 1 0.06 SIDE CHAIN
REMARK 500 9 G A 17 0.05 SIDE CHAIN
REMARK 500 10 G A 1 0.06 SIDE CHAIN
REMARK 500 10 C A 3 0.06 SIDE CHAIN
REMARK 500 10 C A 6 0.06 SIDE CHAIN
REMARK 500 10 C A 19 0.06 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1ATO A 1 19 PDB 1ATO 1ATO 1 19
SEQRES 1 A 19 G G C A C C U C C U C G C
SEQRES 2 A 19 G G U 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 - 16 20 Bytes