Header list of 1e4p.pdb file
Complete list - r 25 2 Bytes
HEADER RNA RIBOZYME 12-JUL-00 1E4P
TITLE STRUCTURE OF THE RIBOZYME SUBSTRATE HAIRPIN OF NEUROSPORA
TITLE 2 VS RNA. A CLOSE LOOK AT THE CLEAVAGE SITE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA
COMPND 3 (5'-R(*GP*UP*GP*CP*GP*AP*AP*GP*AP*CP*GP*AP*AP*
COMPND 4 AP*GP*UP*CP*CP*GP*AP*GP*CP*GP*C)-3');
COMPND 5 CHAIN: A;
COMPND 6 FRAGMENT: SUBSTRATE HAIRPIN;
COMPND 7 SYNONYM: NEUROSPORA VS RNA SUBSTRATE HAIRPIN;
COMPND 8 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 ORGANISM_SCIENTIFIC: NEUROSPORA SP.;
SOURCE 4 ORGANISM_TAXID: 5140
KEYWDS RNA RIBOZYME, SUBSTRATE HAIRPIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR P.J.A.MICHIELS,C.H.J.SCHOUTEN,H.A.HEUS,C.W.HILBERS
REVDAT 2 24-FEB-09 1E4P 1 VERSN
REVDAT 1 16-JAN-01 1E4P 0
JRNL AUTH P.J.A.MICHIELS,C.H.J.SCHOUTEN,C.W.HILBERS,H.A.HEUS
JRNL TITL STRUCTURE OF THE RIBOZYME SUBSTRATE HAIRPIN OF
JRNL TITL 2 NEUROSPORA VS RNA: A CLOSE LOOK AT THE CLEAVAGE
JRNL TITL 3 SITE
JRNL REF RNA V. 6 1821 2000
JRNL REFN ISSN 1355-8382
JRNL PMID 11142381
JRNL DOI 10.1017/S1355838200001394
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 1E4P COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 12-JUL-00.
REMARK 100 THE PDBE ID CODE IS EBI-5154.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 302
REMARK 210 PH : 5.0
REMARK 210 IONIC STRENGTH : 100 MM
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY; DQF-COSY;
REMARK 210 1H-31P HETCOR; 1H-13C HMQC;
REMARK 210 1H-31P HETERO-TOCSY-NOESY;NOESY-JR
REMARK 210 SPECTROMETER FIELD STRENGTH : 500; 600; 750
REMARK 210 SPECTROMETER MODEL : DRX 600; 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 : TORSIAN ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION
REMARK 210 AND LOWEST 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 400
REMARK 400 COMPOUND
REMARK 400 U617G, G643C, STEM-LOOP IB (G625-C635) IS REPLACED BY R(ACGAAAGU)
REMARK 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 470 I=INSERTION CODE):
REMARK 470 M RES CSSEQI ATOMS
REMARK 470 G A 1 P O1P O2P
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 P G A 1 O5' -0.633
REMARK 500 1 G A 15 C5' G A 15 C4' 0.043
REMARK 500 2 G A 1 P G A 1 O5' -0.632
REMARK 500 3 G A 1 P G A 1 O5' -0.633
REMARK 500 4 G A 1 P G A 1 O5' -0.634
REMARK 500 5 G A 1 P G A 1 O5' -0.633
REMARK 500 5 G A 5 C5' G A 5 C4' 0.042
REMARK 500 6 G A 1 P G A 1 O5' -0.634
REMARK 500 6 G A 5 C5' G A 5 C4' 0.043
REMARK 500 6 G A 15 C5' G A 15 C4' 0.042
REMARK 500 7 G A 1 P G A 1 O5' -0.633
REMARK 500 8 G A 1 P G A 1 O5' -0.633
REMARK 500 9 G A 1 P G A 1 O5' -0.633
REMARK 500 10 G A 1 P G A 1 O5' -0.634
REMARK 500 11 G A 1 P G A 1 O5' -0.632
REMARK 500 11 A A 14 C5' A A 14 C4' 0.044
REMARK 500 11 G A 15 C5' G A 15 C4' 0.042
REMARK 500 12 G A 1 P G A 1 O5' -0.633
REMARK 500 13 G A 1 P G A 1 O5' -0.633
REMARK 500 14 G A 1 P G A 1 O5' -0.633
REMARK 500 15 G A 1 P G A 1 O5' -0.633
REMARK 500 15 G A 5 C5' G A 5 C4' 0.042
REMARK 500 16 G A 1 P G A 1 O5' -0.633
REMARK 500 16 A A 12 C5' A A 12 C4' 0.043
REMARK 500 16 G A 15 C5' G A 15 C4' 0.043
REMARK 500 17 G A 1 P G A 1 O5' -0.633
REMARK 500 18 G A 1 P G A 1 O5' -0.633
REMARK 500 18 G A 15 C5' G A 15 C4' 0.042
REMARK 500 19 G A 1 P G A 1 O5' -0.633
REMARK 500 19 G A 5 C5' G A 5 C4' 0.045
REMARK 500 20 G A 1 P G A 1 O5' -0.633
REMARK 500 20 G A 5 C5' G A 5 C4' 0.043
REMARK 500 20 G A 15 C5' G A 15 C4' 0.043
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 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 1 P - O5' - C5' ANGL. DEV. = -13.6 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. = 4.8 DEGREES
REMARK 500 1 G A 5 C3' - C2' - C1' ANGL. DEV. = 4.8 DEGREES
REMARK 500 1 G A 5 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES
REMARK 500 1 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 A A 6 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 A A 6 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 A A 7 C8 - N9 - C4 ANGL. DEV. = -2.7 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. = -3.1 DEGREES
REMARK 500 1 G A 8 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 A A 9 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 G A 11 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES
REMARK 500 1 G A 11 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 A A 13 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 A A 13 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 A A 14 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 1 A A 14 N7 - C8 - N9 ANGL. DEV. = 3.8 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. = 4.7 DEGREES
REMARK 500 1 G A 19 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 1 G A 19 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 A A 20 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 A A 20 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 G A 21 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES
REMARK 500 1 G A 21 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 23 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 G A 23 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 1 C8 - N9 - C4 ANGL. DEV. = -3.1 DEGREES
REMARK 500 2 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 1 P - O5' - C5' ANGL. DEV. = -13.6 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. = 5.0 DEGREES
REMARK 500 2 G A 5 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 2 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 A A 6 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 A A 6 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 A A 7 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 A A 7 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 G A 8 C8 - N9 - C4 ANGL. DEV. = -3.1 DEGREES
REMARK 500 2 G A 8 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 2 A A 9 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 G A 11 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 2 G A 11 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 664 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 24 0.06 SIDE CHAIN
REMARK 500 3 C A 24 0.06 SIDE CHAIN
REMARK 500 6 C A 10 0.06 SIDE CHAIN
REMARK 500 6 C A 24 0.06 SIDE CHAIN
REMARK 500 7 C A 10 0.06 SIDE CHAIN
REMARK 500 8 C A 10 0.06 SIDE CHAIN
REMARK 500 8 C A 24 0.06 SIDE CHAIN
REMARK 500 9 C A 10 0.06 SIDE CHAIN
REMARK 500 9 C A 24 0.06 SIDE CHAIN
REMARK 500 12 C A 10 0.06 SIDE CHAIN
REMARK 500 13 C A 10 0.06 SIDE CHAIN
REMARK 500 14 C A 24 0.06 SIDE CHAIN
REMARK 500 15 C A 24 0.06 SIDE CHAIN
REMARK 500 16 C A 24 0.06 SIDE CHAIN
REMARK 500 18 C A 10 0.06 SIDE CHAIN
REMARK 500 19 C A 10 0.06 SIDE CHAIN
REMARK 500 20 C A 10 0.06 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1E4P A 1 24 PDB 1E4P 1E4P 1 24
SEQRES 1 A 24 G U G C G A A G A C G A A
SEQRES 2 A 24 A G U C C G A G C G 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