Header list of 1m5l.pdb file
Complete list - b 23 2 Bytes
HEADER RNA 09-JUL-02 1M5L TITLE STRUCTURE OF WILD-TYPE AND MUTANT INTERNAL LOOPS FROM THE SL-1 DOMAIN TITLE 2 OF THE HIV-1 PACKAGING SIGNAL COMPND MOL_ID: 1; COMPND 2 MOLECULE: MODIFIED HIV-1 PACKAGING SIGNAL STEM-LOOP 1 RNA; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES; COMPND 6 OTHER_DETAILS: SEQUENCE CONTAINS A26G AND G28A MUTATIONS; APICAL COMPND 7 STEM-LOOP REGION 1 SUBSTITUTED WITH UUCG TETRALOOP SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: T7 POLYMERASE RNA SYNTHESIS KEYWDS BASE TRIPLET, HIV, INTERNAL LOOP, PACKAGING SIGNAL, SL-1, S-TURN, RNA EXPDTA SOLUTION NMR NUMMDL 15 MDLTYP MINIMIZED AVERAGE AUTHOR J.GALLEGO,J.GREATOREX,G.VARANI,A.LEVER REVDAT 3 23-FEB-22 1M5L 1 REMARK REVDAT 2 24-FEB-09 1M5L 1 VERSN REVDAT 1 18-SEP-02 1M5L 0 JRNL AUTH J.GREATOREX,J.GALLEGO,G.VARANI,A.LEVER JRNL TITL STRUCTURE AND STABILITY OF WILD-TYPE AND MUTANT RNA INTERNAL JRNL TITL 2 LOOPS FROM THE SL-1 DOMAIN OF THE HIV-1 PACKAGING SIGNAL JRNL REF J.MOL.BIOL. V. 322 543 2002 JRNL REFN ISSN 0022-2836 JRNL PMID 12225748 JRNL DOI 10.1016/S0022-2836(02)00776-3 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 2.6, X-PLOR 3.851 REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER, A.T. (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1M5L COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-JUL-02. REMARK 100 THE DEPOSITION ID IS D_1000016626. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300; 310 REMARK 210 PH : 6.5; 6.5 REMARK 210 IONIC STRENGTH : 10 MM SODIUM PHOSPHATE; 10 MM REMARK 210 SODIUM PHOSPHATE REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1.4 MM RNA, 10 MM SODIUM REMARK 210 PHOSPHATE, 0.1 MM EDTA REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; 2D DQF-COSY; REMARK 210 2D ROESY; 2D H-P HETCOR REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : DMX; DRX; AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 97, X-PLOR 3.851 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15 REMARK 210 CONFORMERS, SELECTION CRITERIA : 14 STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS AND THE REMARK 210 LOWEST ENERGY; 1 ENERGY- REMARK 210 MINIMIZED AVERAGE OF THE 14 REMARK 210 CONVERGED STRUCTURES REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: ENERGY-MINIMIZED AVERAGE OF 14 CONVERGED STRUCTURES 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 18 H1 G A 21 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. = 4.5 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. = 4.4 DEGREES REMARK 500 1 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 1 A A 5 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 1 G A 6 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 6 C8 - N9 - C4 ANGL. DEV. = -2.5 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 12 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 12 C8 - N9 - C4 ANGL. DEV. = -2.8 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. = -2.7 DEGREES REMARK 500 1 G A 21 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 21 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 A A 23 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 A A 24 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 1 G A 25 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 25 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 G A 26 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 1 G A 26 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES REMARK 500 1 G A 27 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 27 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 A A 28 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 1 G A 30 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 30 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 1 A A 31 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 1 G A 32 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 32 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 G A 33 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 33 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 1 G A 34 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 34 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 1 G A 35 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 35 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 1 G A 37 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 1 G A 37 C8 - N9 - C4 ANGL. DEV. = -2.7 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 3 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 A A 5 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 2 G A 6 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 2 G A 6 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 G A 7 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 7 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 606 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1M5L A 1 38 PDB 1M5L 1M5L 1 38 SEQRES 1 A 38 G C G C A G G A C U C G G SEQRES 2 A 38 C U U C U U C G G A A G G SEQRES 3 A 38 G A C G A G G G 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 - b 23 2 Bytes