Header list of 1lc6.pdb file
Complete list - b 23 2 Bytes
HEADER RNA 05-APR-02 1LC6 TITLE SOLUTION STRUCTURE OF THE U6 INTRAMOLECULAR STEM-LOOP RNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: U6 INTRAMOLECULAR STEM-LOOP RNA; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES; COMPND 6 OTHER_DETAILS: MUTATION A62G SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: T7 RNA TRANSCRIPT FROM SYNTHETIC DNA. SEQUENCE OCCURS SOURCE 4 IN S. CEREVISIAE. KEYWDS RNA, STEM-LOOP, PENTALOOP EXPDTA SOLUTION NMR NUMMDL 40 AUTHOR A.HUPPLER,L.J.NIKSTAD,A.M.ALLMANN,D.A.BROW,S.E.BUTCHER REVDAT 3 23-FEB-22 1LC6 1 REMARK REVDAT 2 24-FEB-09 1LC6 1 VERSN REVDAT 1 29-MAY-02 1LC6 0 JRNL AUTH A.HUPPLER,L.J.NIKSTAD,A.M.ALLMANN,D.A.BROW,S.E.BUTCHER JRNL TITL METAL BINDING AND BASE IONIZATION IN THE U6 RNA JRNL TITL 2 INTRAMOLECULAR STEM-LOOP STRUCTURE. JRNL REF NAT.STRUCT.BIOL. V. 9 431 2002 JRNL REFN ISSN 1072-8368 JRNL PMID 11992125 JRNL DOI 10.1038/NSB800 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 2.6, DYANA 1.5 REMARK 3 AUTHORS : BRUKER (XWINNMR), P.GUENTERT, C.MUMENTHALER, REMARK 3 T.HERRMANN (DYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURE BASED ON 521 NOES, 145 REMARK 3 DIHEDRAL ANGLES AND 25 H-BONDS REMARK 4 REMARK 4 1LC6 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-APR-02. REMARK 100 THE DEPOSITION ID IS D_1000015831. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 50 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM U6 ISL RNA, 13C15N, PH 7.0, REMARK 210 50 MM NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ; 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 98, X-PLOR 3.1, SPARKY REMARK 210 3.72 REMARK 210 METHOD USED : TORSION ANGLE MOLECULAR REMARK 210 DYNAMICS, CARTESIAN SPACE REMARK 210 SIMULATED ANNEALING AND REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 40 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 40 REMARK 210 REMARK 210 REMARK: STANDARD 2D AND 3D HOMONUCLEAR AND HETERONUCLEAR REMARK 210 TECHNIQUES 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' A A 12 H5' U A 13 1.45 REMARK 500 O2' U A 4 H5' C A 5 1.49 REMARK 500 N3 C A 11 H62 A A 12 1.54 REMARK 500 O3' G A 10 H6 C A 11 1.56 REMARK 500 REMARK 500 REMARK: NULL 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 19 A A 12 C8 A A 12 N9 -0.071 REMARK 500 20 A A 12 C8 A A 12 N9 -0.073 REMARK 500 26 A A 12 C8 A A 12 N9 -0.069 REMARK 500 27 A A 12 C8 A A 12 N9 -0.052 REMARK 500 29 A A 12 C8 A A 12 N9 -0.052 REMARK 500 32 A A 12 C8 A A 12 N9 -0.050 REMARK 500 34 A A 12 C8 A A 12 N9 -0.055 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. = 4.6 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. = -2.6 DEGREES REMARK 500 1 G A 10 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 1 G A 10 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES REMARK 500 1 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 1 A A 14 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 1 A A 15 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 1 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 1 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 1 G A 17 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 1 G A 17 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 1 A A 18 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 1 G A 20 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 20 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 A A 21 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 1 A A 22 N7 - C8 - N9 ANGL. DEV. = 3.7 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. = -2.7 DEGREES REMARK 500 2 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 2 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 2 G A 10 N7 - C8 - N9 ANGL. DEV. = 5.0 DEGREES REMARK 500 2 G A 10 C8 - N9 - C4 ANGL. DEV. = -3.1 DEGREES REMARK 500 2 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 2 A A 14 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 2 A A 15 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 2 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 2 G A 17 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 2 G A 17 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 2 A A 18 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 G A 20 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 2 G A 20 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 A A 21 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 2 A A 22 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 3 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 3 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 3 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 3 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 3 G A 10 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 3 G A 10 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES REMARK 500 3 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 3 A A 14 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 3 A A 14 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES REMARK 500 3 A A 15 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 3 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.3 DEGREES REMARK 500 3 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 3 G A 17 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 3 G A 17 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 744 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 8 A A 12 0.06 SIDE CHAIN REMARK 500 13 A A 12 0.06 SIDE CHAIN REMARK 500 16 A A 12 0.07 SIDE CHAIN REMARK 500 19 A A 12 0.05 SIDE CHAIN REMARK 500 20 A A 12 0.05 SIDE CHAIN REMARK 500 24 A A 12 0.10 SIDE CHAIN REMARK 500 25 A A 12 0.10 SIDE CHAIN REMARK 500 26 A A 12 0.05 SIDE CHAIN REMARK 500 28 A A 12 0.11 SIDE CHAIN REMARK 500 30 A A 12 0.11 SIDE CHAIN REMARK 500 40 A A 12 0.11 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1LC6 A 1 24 PDB 1LC6 1LC6 1 24 SEQRES 1 A 24 G G U U C C C C U G C A U SEQRES 2 A 24 A A G G A U G A A 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 - b 23 2 Bytes