Header list of 1ldz.pdb file
Complete list - b 23 2 Bytes
HEADER RNA 18-AUG-98 1LDZ TITLE SOLUTION STRUCTURE OF THE LEAD-DEPENDENT RIBOZYME, NMR, 25 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: LEAD-DEPENDENT RIBOZYME; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: LEADZYME; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: MOLECULE IS RNA SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: PREPARED BY IN VITRO TRANSCRIPTION FROM SYNTHETIC DNA SOURCE 4 TEMPLATE KEYWDS CATALYTIC RNA, INTERNAL LOOPS, LEADZYME, NMR SPECTROSCOPY, RNA KEYWDS 2 STRUCTURE, RNA EXPDTA SOLUTION NMR NUMMDL 25 AUTHOR C.G.HOOGSTRATEN,P.LEGAULT,A.PARDI REVDAT 4 23-FEB-22 1LDZ 1 REMARK REVDAT 3 24-FEB-09 1LDZ 1 VERSN REVDAT 2 23-FEB-99 1LDZ 3 MODEL ATOM SOURCE COMPND REVDAT 2 2 3 REMARK TITLE ENDMDL JRNL REVDAT 2 3 3 EXPDTA TER REVDAT 1 25-NOV-98 1LDZ 0 JRNL AUTH C.G.HOOGSTRATEN,P.LEGAULT,A.PARDI JRNL TITL NMR SOLUTION STRUCTURE OF THE LEAD-DEPENDENT RIBOZYME: JRNL TITL 2 EVIDENCE FOR DYNAMICS IN RNA CATALYSIS. JRNL REF J.MOL.BIOL. V. 284 337 1998 JRNL REFN ISSN 0022-2836 JRNL PMID 9813122 JRNL DOI 10.1006/JMBI.1998.2182 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.LEGAULT,C.G.HOOGSTRATEN,E.METLITZKY,A.PARDI REMARK 1 TITL ORDER, DYNAMICS AND METAL-BINDING IN THE LEAD-DEPENDENT REMARK 1 TITL 2 RIBOZYME REMARK 1 REF J.MOL.BIOL. V. 284 325 1998 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH T.PAN,B.DICHTL,O.C.UHLENBECK REMARK 1 TITL PROPERTIES OF AN IN VITRO SELECTED PB2+ CLEAVAGE MOTIF REMARK 1 REF BIOCHEMISTRY V. 33 9561 1994 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 3 REMARK 1 AUTH T.PAN,O.C.UHLENBECK REMARK 1 TITL A SMALL METALLORIBOZYME WITH A TWO-STEP MECHANISM REMARK 1 REF NATURE V. 358 560 1992 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 4 REMARK 1 AUTH T.PAN,O.C.UHLENBECK REMARK 1 TITL IN VITRO SELECTION OF RNAS THAT UNDERGO AUTOLYTIC CLEAVAGE REMARK 1 TITL 2 WITH PB2+ REMARK 1 REF BIOCHEMISTRY V. 31 3887 1992 REMARK 1 REFN ISSN 0006-2960 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: A COMPLETE SET OF REFINEMENT MACROS, REMARK 3 ALONG WITH ASSOCIATED FILES, IS AVAILABLE UPON REQUEST TO THE REMARK 3 AUTHORS. REMARK 4 REMARK 4 1LDZ 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_1000174676. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : 0.1 M REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : H2O/D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; CPMG-NOESY; BD-NOESY; CBD REMARK 210 -NOESY; NOESY-HSQC; CBD-NOESY- REMARK 210 HSQC; HMQC-NOESY-HSQC; HCCH- REMARK 210 E.COSY; DIRECTED HCC-TOCSY-CCH- REMARK 210 E.COSY; SPIN-ECHO DIFFERENCE CT- REMARK 210 HCCH-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 750 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS; UNITYINOVA; DMX 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 FROM RANDOM REMARK 210 TORSION ANGLES REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 25 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25 REMARK 210 CONFORMERS, SELECTION CRITERIA : NO NOE VIOLATIONS GREATER THAN REMARK 210 0.3 A, NO DIHEDRAL VIOLATIONS REMARK 210 GREATER THAN 3 DEGREES, GOOD REMARK 210 STEREOCHEMICAL QUALITY, TOTAL REMARK 210 ENERGY LESS THAN -120 KCAL/MOL, REMARK 210 NOE PSEUDOENERGY LESS THAN 4 REMARK 210 KCAL/ MOL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED FROM DISTANCE AND TORSION REMARK 210 ANGLE RESTRAINTS DERIVED USING UNLABELED, 15N-LABELED, AND 13C, REMARK 210 15N-LABELED SAMPLES OF THE LEADZYME PREPARED BY IN VITRO REMARK 210 TRANSCRIPTION. 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 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. = 4.5 DEGREES REMARK 500 1 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 1 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 A A 4 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 G A 7 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 7 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 G A 13 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 13 C8 - N9 - C4 ANGL. DEV. = -2.8 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. = -2.7 DEGREES REMARK 500 1 A A 16 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 A A 17 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 A A 18 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 G A 19 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 19 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 G A 22 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 22 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 G A 23 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 23 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 G A 24 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 24 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 A A 25 N1 - C2 - N3 ANGL. DEV. = -3.0 DEGREES REMARK 500 1 A A 25 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 1 G A 26 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 26 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 G A 29 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 29 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 2 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 2 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 2 G A 3 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 G A 7 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 2 G A 7 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 2 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 2 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 2 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 G A 13 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 13 C8 - N9 - C4 ANGL. DEV. = -2.7 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. = -2.7 DEGREES REMARK 500 2 A A 16 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 A A 17 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 A A 18 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 795 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2LDZ RELATED DB: PDB REMARK 900 MINIMIZED AVERAGE STRUCTURE DBREF 1LDZ A 1 30 PDB 1LDZ 1LDZ 1 30 SEQRES 1 A 30 G C G A C C G A G C C A G SEQRES 2 A 30 C G A A A G U U G G G A G SEQRES 3 A 30 U 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 - b 23 2 Bytes