Header list of 2ixz.pdb file
Complete list - 18 20 Bytes
HEADER RNA 11-JUL-06 2IXZ TITLE SOLUTION STRUCTURE OF THE APICAL STEM-LOOP OF THE HUMAN HEPATITIS B TITLE 2 VIRUS ENCAPSIDATION SIGNAL COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*GP*CP*UP*GP*UP*GP*CP*CP)-3'; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: PSEUDO TRILOOP OF APICAL STEM-LOOP FROM HEPATITISB VIRUS COMPND 5 EPSILON; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: HEPATITIS B VIRUS; SOURCE 4 ORGANISM_TAXID: 10407 KEYWDS HBV, RDC, RNA, PSEUDO TRILOOP EXPDTA SOLUTION NMR NUMMDL 12 AUTHOR S.FLODELL,M.PETERSEN,F.GIRARD,J.ZDUNEK,K.KIDD-LJUNGGREN,J.SCHLEUCHER, AUTHOR 2 S.S.WIJMENGA REVDAT 4 18-APR-18 2IXZ 1 SOURCE JRNL REMARK REVDAT 3 24-FEB-09 2IXZ 1 VERSN REVDAT 2 18-OCT-06 2IXZ 1 JRNL REVDAT 1 06-SEP-06 2IXZ 0 JRNL AUTH S.FLODELL,M.PETERSEN,F.GIRARD,J.ZDUNEK,K.KIDD-LJUNGGREN, JRNL AUTH 2 J.SCHLEUCHER,S.WIJMENGA JRNL TITL SOLUTION STRUCTURE OF THE APICAL STEM-LOOP OF THE HUMAN JRNL TITL 2 HEPATITIS B VIRUS ENCAPSIDATION SIGNAL. JRNL REF NUCLEIC ACIDS RES. V. 34 4449 2006 JRNL REFN ESSN 1362-4962 JRNL PMID 16945960 JRNL DOI 10.1093/NAR/GKL582 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER REMARK 3 AUTHORS : CASE ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE REMARK 3 JRNL CITATION ABOVE. THIS STRUCTURE REPRESENTS THE PSEUDO REMARK 3 TRILOOP OF THE APICAL STEM-LOOP FROM HEPATITIS B VIRUS EPSILON. REMARK 3 RESTRAINTS WERE DERIVED FROM 27 NT SAMPLE OF THE WHOLE APICAL REMARK 3 STEM-LOOP. REMARK 4 REMARK 4 2IXZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 11-JUL-06. REMARK 100 THE DEPOSITION ID IS D_1290029363. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298.0 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100 REMARK 210 PRESSURE : 1.0 ATM REMARK 210 SAMPLE CONTENTS : D2O AND 10% D2O/90% H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; COSY; TOCSY; HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : AMBER REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 12 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NONE 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 C A 2 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 1 G A 4 C5' - C4' - O4' ANGL. DEV. = -10.2 DEGREES REMARK 500 1 G A 4 C1' - O4' - C4' ANGL. DEV. = 6.2 DEGREES REMARK 500 1 G A 4 O4' - C1' - C2' ANGL. DEV. = -10.5 DEGREES REMARK 500 1 G A 4 O4' - C1' - N9 ANGL. DEV. = 12.3 DEGREES REMARK 500 1 G A 4 C8 - N9 - C4 ANGL. DEV. = -5.5 DEGREES REMARK 500 1 G A 4 N9 - C4 - C5 ANGL. DEV. = 2.8 DEGREES REMARK 500 1 U A 5 O4' - C1' - N1 ANGL. DEV. = 6.1 DEGREES REMARK 500 1 G A 6 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 1 C A 7 O4' - C4' - C3' ANGL. DEV. = -7.0 DEGREES REMARK 500 1 C A 7 C5' - C4' - O4' ANGL. DEV. = 7.3 DEGREES REMARK 500 1 C A 7 O4' - C1' - N1 ANGL. DEV. = 6.2 DEGREES REMARK 500 1 C A 8 C6 - N1 - C2 ANGL. DEV. = -4.0 DEGREES REMARK 500 1 C A 8 N1 - C2 - O2 ANGL. DEV. = 3.6 DEGREES REMARK 500 2 C A 2 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 2 G A 4 C5' - C4' - O4' ANGL. DEV. = -10.4 DEGREES REMARK 500 2 G A 4 C1' - O4' - C4' ANGL. DEV. = 5.3 DEGREES REMARK 500 2 G A 4 C4' - C3' - O3' ANGL. DEV. = 12.0 DEGREES REMARK 500 2 G A 4 O4' - C1' - C2' ANGL. DEV. = -8.4 DEGREES REMARK 500 2 G A 4 O4' - C1' - N9 ANGL. DEV. = 11.3 DEGREES REMARK 500 2 G A 4 C8 - N9 - C4 ANGL. DEV. = -5.0 DEGREES REMARK 500 2 G A 4 N9 - C4 - C5 ANGL. DEV. = 3.1 DEGREES REMARK 500 2 U A 5 O4' - C1' - N1 ANGL. DEV. = 5.7 DEGREES REMARK 500 2 G A 6 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 2 C A 7 O4' - C4' - C3' ANGL. DEV. = -6.9 DEGREES REMARK 500 2 C A 7 C1' - O4' - C4' ANGL. DEV. = -4.4 DEGREES REMARK 500 2 C A 7 O4' - C1' - N1 ANGL. DEV. = 5.5 DEGREES REMARK 500 2 C A 8 C6 - N1 - C2 ANGL. DEV. = -4.1 DEGREES REMARK 500 3 G A 4 C5' - C4' - O4' ANGL. DEV. = -11.5 DEGREES REMARK 500 3 G A 4 C1' - O4' - C4' ANGL. DEV. = 5.2 DEGREES REMARK 500 3 G A 4 C4' - C3' - O3' ANGL. DEV. = 12.4 DEGREES REMARK 500 3 G A 4 O4' - C1' - C2' ANGL. DEV. = -7.7 DEGREES REMARK 500 3 G A 4 O4' - C1' - N9 ANGL. DEV. = 11.5 DEGREES REMARK 500 3 G A 4 C8 - N9 - C4 ANGL. DEV. = -4.6 DEGREES REMARK 500 3 G A 4 N9 - C4 - C5 ANGL. DEV. = 3.1 DEGREES REMARK 500 3 U A 5 O4' - C1' - N1 ANGL. DEV. = 6.0 DEGREES REMARK 500 3 G A 6 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 3 C A 7 O4' - C4' - C3' ANGL. DEV. = -6.5 DEGREES REMARK 500 3 C A 7 C1' - O4' - C4' ANGL. DEV. = -4.2 DEGREES REMARK 500 3 C A 7 O4' - C1' - N1 ANGL. DEV. = 5.6 DEGREES REMARK 500 3 C A 8 C6 - N1 - C2 ANGL. DEV. = -4.2 DEGREES REMARK 500 4 U A 3 O4' - C1' - N1 ANGL. DEV. = 5.5 DEGREES REMARK 500 4 U A 5 O4' - C1' - N1 ANGL. DEV. = 7.7 DEGREES REMARK 500 4 U A 5 C4 - C5 - C6 ANGL. DEV. = 4.1 DEGREES REMARK 500 4 U A 5 C5 - C6 - N1 ANGL. DEV. = -3.2 DEGREES REMARK 500 4 G A 6 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES REMARK 500 4 C A 7 O4' - C4' - C3' ANGL. DEV. = -7.8 DEGREES REMARK 500 4 C A 7 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 5 U A 3 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 5 G A 4 O4' - C1' - N9 ANGL. DEV. = 4.9 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 109 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 G A 1 0.05 SIDE CHAIN REMARK 500 1 G A 4 0.08 SIDE CHAIN REMARK 500 1 U A 5 0.26 SIDE CHAIN REMARK 500 1 G A 6 0.13 SIDE CHAIN REMARK 500 1 C A 8 0.13 SIDE CHAIN REMARK 500 2 G A 4 0.10 SIDE CHAIN REMARK 500 2 U A 5 0.26 SIDE CHAIN REMARK 500 2 C A 8 0.12 SIDE CHAIN REMARK 500 3 G A 4 0.11 SIDE CHAIN REMARK 500 3 U A 5 0.26 SIDE CHAIN REMARK 500 3 C A 8 0.12 SIDE CHAIN REMARK 500 4 G A 1 0.10 SIDE CHAIN REMARK 500 4 U A 5 0.15 SIDE CHAIN REMARK 500 4 G A 6 0.08 SIDE CHAIN REMARK 500 4 C A 8 0.12 SIDE CHAIN REMARK 500 5 G A 4 0.05 SIDE CHAIN REMARK 500 5 U A 5 0.20 SIDE CHAIN REMARK 500 5 G A 6 0.08 SIDE CHAIN REMARK 500 5 C A 8 0.10 SIDE CHAIN REMARK 500 6 C A 2 0.11 SIDE CHAIN REMARK 500 6 G A 4 0.09 SIDE CHAIN REMARK 500 6 U A 5 0.12 SIDE CHAIN REMARK 500 6 C A 8 0.13 SIDE CHAIN REMARK 500 7 C A 2 0.10 SIDE CHAIN REMARK 500 7 G A 4 0.09 SIDE CHAIN REMARK 500 7 U A 5 0.20 SIDE CHAIN REMARK 500 7 G A 6 0.08 SIDE CHAIN REMARK 500 7 C A 8 0.10 SIDE CHAIN REMARK 500 8 C A 2 0.09 SIDE CHAIN REMARK 500 8 G A 4 0.08 SIDE CHAIN REMARK 500 8 U A 5 0.20 SIDE CHAIN REMARK 500 8 G A 6 0.09 SIDE CHAIN REMARK 500 8 C A 8 0.10 SIDE CHAIN REMARK 500 9 U A 5 0.15 SIDE CHAIN REMARK 500 9 G A 6 0.09 SIDE CHAIN REMARK 500 9 C A 8 0.10 SIDE CHAIN REMARK 500 10 U A 5 0.18 SIDE CHAIN REMARK 500 10 C A 8 0.11 SIDE CHAIN REMARK 500 11 U A 5 0.15 SIDE CHAIN REMARK 500 11 G A 6 0.09 SIDE CHAIN REMARK 500 11 C A 8 0.12 SIDE CHAIN REMARK 500 12 U A 3 0.08 SIDE CHAIN REMARK 500 12 G A 4 0.11 SIDE CHAIN REMARK 500 12 C A 8 0.12 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2IXY RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE APICAL STEM-LOOP OF THE HUMAN HEPATITIS B REMARK 900 VIRUS ENCAPSIDATION SIGNAL DBREF 2IXZ A 1 8 PDB 2IXZ 2IXZ 1 8 SEQRES 1 A 8 G C U G U G 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 - 18 20 Bytes