Header list of 1e95.pdb file
Complete list - r 25 2 Bytes
HEADER RNA 09-OCT-00 1E95
TITLE SOLUTION STRUCTURE OF THE PSEUDOKNOT OF SRV-1 RNA, INVOLVED
TITLE 2 IN RIBOSOMAL FRAMESHIFTING
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA (5'-(*GP*CP*GP*GP*CP*CP*AP*GP*CP*UP*CP*
COMPND 3 CP*AP*GP*GP*CP*CP*GP*CP*CP*AP*AP*AP*CP*
COMPND 4 AP*AP*UP*AP*UP*GP*GP*AP*GP*CP*AP*C)-3');
COMPND 5 CHAIN: A;
COMPND 6 FRAGMENT: GAG-PRO FRAMESHIFTING PSEUDOKNOT;
COMPND 7 SYNONYM: SRV-1 RNA PSEUDOKNOT;
COMPND 8 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 ORGANISM_SCIENTIFIC: SIMIAN RETROVIRUS 1;
SOURCE 4 ORGANISM_COMMON: SRV-1;
SOURCE 5 ORGANISM_TAXID: 11942
KEYWDS RIBONUCLEIC ACID, SRV-1, RNA, PSEUDOKNOT, FRAMESHIFT
EXPDTA SOLUTION NMR
NUMMDL 15
AUTHOR P.J.A.MICHIELS,A.VERSLEYEN,C.W.A.PLEIJ,C.W.HILBERS,H.A.HEUS
REVDAT 2 24-FEB-09 1E95 1 VERSN
REVDAT 1 23-AUG-01 1E95 0
JRNL AUTH P.J.A.MICHIELS,A.A.VERSLEIJEN,P.W.VERLAAN,
JRNL AUTH 2 C.W.A.PLEIJ,C.W.HILBERS,H.A.HEUS
JRNL TITL SOLUTION STRUCTURE OF THE PSEUDOKNOT OF SRV-1 RNA,
JRNL TITL 2 INVOLVED IN RIBOSOMAL FRAMESHIFTING
JRNL REF J.MOL.BIOL. V. 310 1109 2001
JRNL REFN ISSN 0022-2836
JRNL PMID 11501999
JRNL DOI 10.1006/JMBI.2001.4823
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1E95 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 09-OCT-00.
REMARK 100 THE PDBE ID CODE IS EBI-5425.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.4
REMARK 210 IONIC STRENGTH : 100 MM NACL, 10 MM
REMARK 210 K2HPO4/KH2PO4
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; DQF-COSY; TOCSY;
REMARK 210 31P-1H HETCOR; HMQC;
REMARK 210 31P-1H HETERO-TOCSY-NOESY;
REMARK 210 NOESY-HMQC; HCCH-TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500; 600; 750
REMARK 210 SPECTROMETER MODEL : DMX600; INOVA 500; INOVA 750
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XPLOR
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT
REMARK 210 VIOLATIONS, 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 400
REMARK 400 COMPOUND
REMARK 400 CHAIN A ENGINEERED MUTATION G2C, C10U, C18G, G35A,
REMARK 400 DELTA(G26, C27, U28)
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 3 C5' G A 3 C4' 0.044
REMARK 500 1 G A 4 C5' G A 4 C4' 0.043
REMARK 500 1 A A 32 C5' A A 32 C4' 0.043
REMARK 500 1 G A 33 C5' G A 33 C4' 0.044
REMARK 500 2 A A 32 C5' A A 32 C4' 0.046
REMARK 500 2 G A 33 C5' G A 33 C4' 0.042
REMARK 500 3 G A 3 C5' G A 3 C4' 0.042
REMARK 500 3 G A 4 C5' G A 4 C4' 0.042
REMARK 500 3 A A 32 C5' A A 32 C4' 0.043
REMARK 500 3 G A 33 C5' G A 33 C4' 0.043
REMARK 500 4 G A 4 C5' G A 4 C4' 0.042
REMARK 500 4 G A 8 C5' G A 8 C4' 0.044
REMARK 500 4 A A 32 C5' A A 32 C4' 0.044
REMARK 500 5 G A 8 C5' G A 8 C4' 0.044
REMARK 500 5 A A 32 C5' A A 32 C4' 0.045
REMARK 500 5 G A 33 C5' G A 33 C4' 0.043
REMARK 500 6 G A 4 C5' G A 4 C4' 0.045
REMARK 500 6 A A 32 C5' A A 32 C4' 0.043
REMARK 500 7 A A 32 C5' A A 32 C4' 0.044
REMARK 500 7 G A 33 C5' G A 33 C4' 0.043
REMARK 500 8 G A 3 C5' G A 3 C4' 0.043
REMARK 500 8 A A 32 C5' A A 32 C4' 0.044
REMARK 500 9 G A 4 C5' G A 4 C4' 0.044
REMARK 500 9 A A 23 C5' A A 23 C4' 0.049
REMARK 500 9 A A 32 C5' A A 32 C4' 0.044
REMARK 500 10 G A 4 C5' G A 4 C4' 0.043
REMARK 500 10 A A 32 C5' A A 32 C4' 0.044
REMARK 500 10 G A 33 C5' G A 33 C4' 0.045
REMARK 500 10 A A 35 C5' A A 35 C4' 0.050
REMARK 500 11 G A 4 C5' G A 4 C4' 0.043
REMARK 500 11 G A 8 C5' G A 8 C4' 0.045
REMARK 500 11 A A 23 C5' A A 23 C4' 0.051
REMARK 500 11 A A 32 C5' A A 32 C4' 0.042
REMARK 500 11 G A 33 C5' G A 33 C4' 0.043
REMARK 500 12 G A 8 C5' G A 8 C4' 0.046
REMARK 500 12 G A 14 C5' G A 14 C4' 0.042
REMARK 500 12 A A 32 C5' A A 32 C4' 0.044
REMARK 500 12 G A 33 C5' G A 33 C4' 0.043
REMARK 500 13 G A 14 C5' G A 14 C4' 0.042
REMARK 500 13 A A 32 C5' A A 32 C4' 0.043
REMARK 500 13 G A 33 C5' G A 33 C4' 0.043
REMARK 500 13 A A 35 C5' A A 35 C4' 0.052
REMARK 500 14 A A 32 C5' A A 32 C4' 0.043
REMARK 500 14 A A 35 C5' A A 35 C4' 0.046
REMARK 500 15 A A 32 C5' A A 32 C4' 0.045
REMARK 500 15 G A 33 C5' G A 33 C4' 0.043
REMARK 500 15 A A 35 C5' A A 35 C4' 0.050
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 C3' - C2' - C1' ANGL. DEV. = 5.7 DEGREES
REMARK 500 1 G A 1 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES
REMARK 500 1 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 3 C8 - N9 - C4 ANGL. DEV. = -3.1 DEGREES
REMARK 500 1 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 G A 3 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 G A 4 C8 - N9 - C4 ANGL. DEV. = -3.2 DEGREES
REMARK 500 1 G A 4 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 A A 7 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 1 A A 7 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 G A 8 C8 - N9 - C4 ANGL. DEV. = -3.3 DEGREES
REMARK 500 1 G A 8 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 U A 10 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 A A 13 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A A 13 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 G A 14 C8 - N9 - C4 ANGL. DEV. = -3.2 DEGREES
REMARK 500 1 G A 14 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 15 C8 - N9 - C4 ANGL. DEV. = -3.1 DEGREES
REMARK 500 1 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 18 C8 - N9 - C4 ANGL. DEV. = -3.2 DEGREES
REMARK 500 1 G A 18 N7 - C8 - N9 ANGL. DEV. = 4.9 DEGREES
REMARK 500 1 A A 21 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 1 A A 21 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES
REMARK 500 1 A A 22 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 A A 22 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 A A 23 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A A 23 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 A A 25 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A A 25 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 A A 26 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 A A 26 N7 - C8 - N9 ANGL. DEV. = 4.1 DEGREES
REMARK 500 1 A A 28 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES
REMARK 500 1 A A 28 N7 - C8 - N9 ANGL. DEV. = 4.1 DEGREES
REMARK 500 1 G A 30 C8 - N9 - C4 ANGL. DEV. = -3.2 DEGREES
REMARK 500 1 G A 30 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 31 C3' - C2' - C1' ANGL. DEV. = 4.8 DEGREES
REMARK 500 1 G A 31 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES
REMARK 500 1 G A 31 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 A A 32 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A A 32 N7 - C8 - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 G A 33 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 G A 33 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 33 O4' - C1' - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 A A 35 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A A 35 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES
REMARK 500 2 G A 1 C3' - C2' - C1' ANGL. DEV. = 5.8 DEGREES
REMARK 500 2 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 2 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 2 G A 3 C8 - N9 - C4 ANGL. DEV. = -3.2 DEGREES
REMARK 500 2 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 696 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 C A 6 0.06 SIDE CHAIN
REMARK 500 3 C A 6 0.06 SIDE CHAIN
REMARK 500 10 C A 6 0.07 SIDE CHAIN
REMARK 500 15 C A 6 0.06 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1E95 A 1 36 EMBL M11841 RESIVRV1 2337 2373
SEQADV 1E95 C A 2 EMBL M11841 G 2338 ENGINEERED
SEQADV 1E95 U A 10 EMBL M11841 C 2346 ENGINEERED
SEQADV 1E95 G A 18 EMBL M11841 C 2354 ENGINEERED
SEQADV 1E95 A A 35 EMBL M11841 G 2374 ENGINEERED
SEQADV 1E95 A EMBL M11841 G 2363 DELETION
SEQADV 1E95 A EMBL M11841 C 2364 DELETION
SEQADV 1E95 A EMBL M11841 U 2365 DELETION
SEQADV 1E95 A A 32 EMBL M11841 G 2371 CONFLICT
SEQADV 1E95 C A 36 EMBL M11841 G 2375 CONFLICT
SEQRES 1 A 36 G C G G C C A G C U C C A
SEQRES 2 A 36 G G C C G C C A A A C A A
SEQRES 3 A 36 U A U G G A G C A 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 25 2 Bytes