Header list of 1xav.pdb file
Complete list - p 17 2 Bytes
HEADER DNA 26-AUG-04 1XAV TITLE MAJOR G-QUADRUPLEX STRUCTURE FORMED IN HUMAN C-MYC PROMOTER, A TITLE 2 MONOMERIC PARALLEL-STRANDED QUADRUPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP COMPND 3 *GP*TP*AP*A)-3'; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SYNTHESIZED BY SOLID PHASE DNA SYNTHESIZER KEYWDS C-MYC PROMOTER DNA, PARALLEL STRANDED GUANINE-QUADRUPLEX,NMR KEYWDS 2 STRUCTURE, DNA EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR A.AMBRUS,D.CHEN,J.DAI,R.A.JONES,D.YANG REVDAT 4 17-SEP-14 1XAV 1 REMARK TITLE VERSN REVDAT 3 24-FEB-09 1XAV 1 VERSN REVDAT 2 22-MAR-05 1XAV 1 JRNL REVDAT 1 01-FEB-05 1XAV 0 JRNL AUTH A.AMBRUS,D.CHEN,J.DAI,R.A.JONES,D.YANG JRNL TITL SOLUTION STRUCTURE OF THE BIOLOGICALLY RELEVANT G-QUADRUPLEX JRNL TITL 2 ELEMENT IN THE HUMAN C-MYC PROMOTER. IMPLICATIONS FOR JRNL TITL 3 G-QUADRUPLEX STABILIZATION. JRNL REF BIOCHEMISTRY V. 44 2048 2005 JRNL REFN ISSN 0006-2960 JRNL PMID 15697230 JRNL DOI 10.1021/BI048242P REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : INSIGHT II 2000L REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1XAV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-AUG-04. REMARK 100 THE RCSB ID CODE IS RCSB030150. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 25MM POTASSIUM-PHOSPHATE,70MM REMARK 210 POTASSIUM-CHLORIDE REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.2-3MM DNA OLIGONUCLEOTIDES, REMARK 210 25MM POTASSIUM-PHOSPHATE,70MM REMARK 210 POTASSIUM-CHLORIDE,PH7.0 BUFFER, REMARK 210 10% D2O/90% H2O; 0.2-3MM DNA REMARK 210 OLIGONUCLEOTIDES, 25MM POTASSIUM- REMARK 210 PHOSPHATE,70MM POTASSIUM- REMARK 210 CHLORIDE,PH7.0 BUFFER, 99.96% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 3.5, SPARKY 3.1 REMARK 210 METHOD USED : MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: CONSTRAINTS FOR STRUCTURE CALCULATIONS WERE COLLECTED FROM REMARK 210 STANDARD HOMONUCLEAR NMR EXPERIMENTS. SITE-SPECIFIC IMINO- REMARK 210 ASSIGNMENTS WERE OBTAINED FROM 1D HMQC WITH PRESATURATION. 2D REMARK 210 NOESY IN WATER USED JUMP-AND-RETURN SOLVENT SUPPRESSION. THE REMARK 210 AVERAGE RMSD IS 0.880531. 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 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 DT A 1 C5' DT A 1 C4' 0.048 REMARK 500 1 DG A 8 C5' DG A 8 C4' 0.046 REMARK 500 2 DT A 1 C5' DT A 1 C4' 0.046 REMARK 500 2 DG A 8 C5' DG A 8 C4' 0.052 REMARK 500 2 DG A 17 C5' DG A 17 C4' 0.056 REMARK 500 3 DG A 8 C5' DG A 8 C4' 0.051 REMARK 500 3 DG A 17 C5' DG A 17 C4' 0.050 REMARK 500 4 DT A 1 C5' DT A 1 C4' 0.050 REMARK 500 4 DG A 8 C5' DG A 8 C4' 0.057 REMARK 500 5 DT A 1 C5' DT A 1 C4' 0.051 REMARK 500 5 DG A 8 C5' DG A 8 C4' 0.056 REMARK 500 5 DA A 22 C5' DA A 22 C4' 0.045 REMARK 500 6 DT A 1 C5' DT A 1 C4' 0.057 REMARK 500 6 DG A 8 C5' DG A 8 C4' 0.047 REMARK 500 6 DG A 17 C5' DG A 17 C4' 0.056 REMARK 500 7 DT A 1 C5' DT A 1 C4' 0.046 REMARK 500 7 DA A 3 C5' DA A 3 C4' 0.043 REMARK 500 7 DT A 7 C5' DT A 7 C4' 0.042 REMARK 500 7 DG A 8 C5' DG A 8 C4' 0.043 REMARK 500 8 DT A 1 C5' DT A 1 C4' 0.045 REMARK 500 9 DG A 8 C5' DG A 8 C4' 0.060 REMARK 500 9 DG A 17 C5' DG A 17 C4' 0.042 REMARK 500 10 DT A 1 C5' DT A 1 C4' 0.048 REMARK 500 10 DG A 17 C5' DG A 17 C4' 0.044 REMARK 500 11 DT A 1 C5' DT A 1 C4' 0.050 REMARK 500 11 DA A 3 C5' DA A 3 C4' 0.042 REMARK 500 11 DG A 8 C5' DG A 8 C4' 0.055 REMARK 500 11 DA A 22 C5' DA A 22 C4' 0.043 REMARK 500 12 DT A 1 C5' DT A 1 C4' 0.044 REMARK 500 12 DG A 8 C5' DG A 8 C4' 0.057 REMARK 500 13 DT A 1 C5' DT A 1 C4' 0.046 REMARK 500 13 DG A 8 C5' DG A 8 C4' 0.051 REMARK 500 14 DT A 1 C5' DT A 1 C4' 0.047 REMARK 500 14 DG A 17 C5' DG A 17 C4' 0.045 REMARK 500 15 DT A 1 C5' DT A 1 C4' 0.055 REMARK 500 15 DG A 8 C5' DG A 8 C4' 0.066 REMARK 500 16 DG A 8 C5' DG A 8 C4' 0.052 REMARK 500 17 DT A 1 C5' DT A 1 C4' 0.053 REMARK 500 17 DG A 8 C5' DG A 8 C4' 0.055 REMARK 500 18 DT A 1 C5' DT A 1 C4' 0.047 REMARK 500 18 DG A 17 C5' DG A 17 C4' 0.054 REMARK 500 19 DT A 1 C5' DT A 1 C4' 0.045 REMARK 500 19 DG A 8 C5' DG A 8 C4' 0.051 REMARK 500 20 DT A 1 C5' DT A 1 C4' 0.049 REMARK 500 20 DG A 8 C5' DG A 8 C4' 0.043 REMARK 500 20 DG A 17 C5' DG A 17 C4' 0.061 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 DG A 2 O4' - C4' - C3' ANGL. DEV. = -2.7 DEGREES REMARK 500 1 DG A 2 C3' - O3' - P ANGL. DEV. = 12.9 DEGREES REMARK 500 1 DG A 4 C8 - N9 - C1' ANGL. DEV. = 9.6 DEGREES REMARK 500 1 DG A 4 C4 - N9 - C1' ANGL. DEV. = -8.2 DEGREES REMARK 500 1 DG A 4 C3' - O3' - P ANGL. DEV. = 11.9 DEGREES REMARK 500 2 DG A 2 C3' - O3' - P ANGL. DEV. = 7.3 DEGREES REMARK 500 2 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES REMARK 500 2 DG A 4 C8 - N9 - C1' ANGL. DEV. = 10.0 DEGREES REMARK 500 2 DG A 4 C4 - N9 - C1' ANGL. DEV. = -9.1 DEGREES REMARK 500 2 DG A 17 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 3 DG A 2 C3' - O3' - P ANGL. DEV. = 9.0 DEGREES REMARK 500 3 DG A 4 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 3 DG A 4 C8 - N9 - C1' ANGL. DEV. = 9.2 DEGREES REMARK 500 3 DG A 4 C4 - N9 - C1' ANGL. DEV. = -8.0 DEGREES REMARK 500 3 DT A 7 C3' - O3' - P ANGL. DEV. = 7.6 DEGREES REMARK 500 3 DG A 9 O4' - C4' - C3' ANGL. DEV. = -3.3 DEGREES REMARK 500 3 DG A 14 O4' - C4' - C3' ANGL. DEV. = -2.6 DEGREES REMARK 500 3 DG A 19 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 4 DG A 2 O4' - C4' - C3' ANGL. DEV. = -2.5 DEGREES REMARK 500 4 DG A 2 C8 - N9 - C1' ANGL. DEV. = 8.5 DEGREES REMARK 500 4 DG A 4 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 4 DT A 16 O4' - C1' - N1 ANGL. DEV. = 1.8 DEGREES REMARK 500 4 DG A 19 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 5 DG A 2 C3' - O3' - P ANGL. DEV. = 10.4 DEGREES REMARK 500 5 DG A 4 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 5 DG A 4 C8 - N9 - C1' ANGL. DEV. = 9.1 DEGREES REMARK 500 5 DG A 4 C4 - N9 - C1' ANGL. DEV. = -8.0 DEGREES REMARK 500 5 DG A 4 C3' - O3' - P ANGL. DEV. = 8.7 DEGREES REMARK 500 5 DG A 9 O4' - C4' - C3' ANGL. DEV. = -2.5 DEGREES REMARK 500 5 DG A 9 C5' - C4' - C3' ANGL. DEV. = 7.4 DEGREES REMARK 500 5 DG A 19 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 6 DG A 2 C3' - O3' - P ANGL. DEV. = 7.8 DEGREES REMARK 500 6 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 6 DG A 4 C8 - N9 - C1' ANGL. DEV. = 7.9 DEGREES REMARK 500 6 DG A 9 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES REMARK 500 6 DG A 9 C8 - N9 - C1' ANGL. DEV. = 8.6 DEGREES REMARK 500 6 DG A 17 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 7 DG A 2 C3' - O3' - P ANGL. DEV. = 8.4 DEGREES REMARK 500 7 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 7 DG A 4 C8 - N9 - C1' ANGL. DEV. = 8.4 DEGREES REMARK 500 7 DG A 4 C3' - O3' - P ANGL. DEV. = 9.8 DEGREES REMARK 500 7 DT A 7 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 7 DG A 10 O4' - C4' - C3' ANGL. DEV. = -2.4 DEGREES REMARK 500 7 DG A 19 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES REMARK 500 7 DA A 22 C5' - C4' - C3' ANGL. DEV. = 7.4 DEGREES REMARK 500 8 DA A 3 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 8 DG A 4 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES REMARK 500 8 DG A 4 C8 - N9 - C1' ANGL. DEV. = 7.9 DEGREES REMARK 500 8 DT A 7 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 9 DT A 1 C3' - O3' - P ANGL. DEV. = 9.3 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 110 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 DA A 3 0.14 SIDE CHAIN REMARK 500 1 DG A 5 0.07 SIDE CHAIN REMARK 500 1 DG A 6 0.07 SIDE CHAIN REMARK 500 1 DG A 17 0.06 SIDE CHAIN REMARK 500 1 DG A 18 0.10 SIDE CHAIN REMARK 500 1 DA A 22 0.06 SIDE CHAIN REMARK 500 2 DA A 3 0.09 SIDE CHAIN REMARK 500 2 DG A 5 0.06 SIDE CHAIN REMARK 500 2 DG A 6 0.06 SIDE CHAIN REMARK 500 2 DG A 15 0.07 SIDE CHAIN REMARK 500 2 DG A 17 0.06 SIDE CHAIN REMARK 500 2 DG A 18 0.11 SIDE CHAIN REMARK 500 2 DG A 19 0.06 SIDE CHAIN REMARK 500 3 DA A 3 0.15 SIDE CHAIN REMARK 500 3 DG A 9 0.06 SIDE CHAIN REMARK 500 3 DG A 14 0.08 SIDE CHAIN REMARK 500 3 DG A 18 0.12 SIDE CHAIN REMARK 500 3 DG A 19 0.07 SIDE CHAIN REMARK 500 4 DA A 3 0.09 SIDE CHAIN REMARK 500 4 DG A 6 0.06 SIDE CHAIN REMARK 500 4 DG A 9 0.05 SIDE CHAIN REMARK 500 4 DA A 12 0.06 SIDE CHAIN REMARK 500 4 DG A 13 0.06 SIDE CHAIN REMARK 500 4 DG A 18 0.12 SIDE CHAIN REMARK 500 4 DG A 19 0.07 SIDE CHAIN REMARK 500 5 DA A 3 0.13 SIDE CHAIN REMARK 500 5 DG A 5 0.09 SIDE CHAIN REMARK 500 5 DG A 9 0.06 SIDE CHAIN REMARK 500 5 DT A 11 0.13 SIDE CHAIN REMARK 500 5 DG A 18 0.12 SIDE CHAIN REMARK 500 6 DA A 3 0.11 SIDE CHAIN REMARK 500 6 DG A 15 0.09 SIDE CHAIN REMARK 500 6 DG A 18 0.15 SIDE CHAIN REMARK 500 6 DA A 22 0.07 SIDE CHAIN REMARK 500 7 DA A 3 0.14 SIDE CHAIN REMARK 500 7 DG A 5 0.10 SIDE CHAIN REMARK 500 7 DG A 6 0.09 SIDE CHAIN REMARK 500 7 DG A 10 0.06 SIDE CHAIN REMARK 500 7 DG A 13 0.06 SIDE CHAIN REMARK 500 7 DG A 15 0.07 SIDE CHAIN REMARK 500 7 DG A 18 0.12 SIDE CHAIN REMARK 500 7 DA A 22 0.09 SIDE CHAIN REMARK 500 8 DG A 2 0.07 SIDE CHAIN REMARK 500 8 DA A 3 0.11 SIDE CHAIN REMARK 500 8 DG A 5 0.08 SIDE CHAIN REMARK 500 8 DT A 7 0.07 SIDE CHAIN REMARK 500 8 DT A 11 0.10 SIDE CHAIN REMARK 500 8 DA A 12 0.07 SIDE CHAIN REMARK 500 8 DG A 13 0.06 SIDE CHAIN REMARK 500 8 DG A 17 0.05 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 141 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 1 K A 30 K REMARK 620 N RES CSSEQI ATOM REMARK 620 1 DG A 9 O6 REMARK 620 2 DG A 6 O6 96.3 REMARK 620 3 DG A 5 O6 66.4 74.2 REMARK 620 4 DG A 19 O6 162.4 75.0 96.3 REMARK 620 5 DG A 15 O6 118.7 124.4 157.2 78.4 REMARK 620 6 DG A 10 O6 66.6 79.0 121.9 124.9 77.7 REMARK 620 7 DG A 18 O6 102.0 122.6 65.0 71.5 92.5 157.5 REMARK 620 8 DG A 14 O6 61.3 157.6 95.8 126.7 71.1 90.1 67.5 REMARK 620 N 1 2 3 4 5 6 7 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 1 K A 31 K REMARK 620 N RES CSSEQI ATOM REMARK 620 1 DG A 8 O6 REMARK 620 2 DG A 5 O6 89.0 REMARK 620 3 DG A 4 N1 49.1 64.5 REMARK 620 4 DG A 18 O6 148.3 59.6 106.9 REMARK 620 5 DG A 17 O6 129.2 126.0 109.2 74.0 REMARK 620 6 DG A 14 O6 130.2 96.1 159.9 63.7 86.0 REMARK 620 7 DG A 13 O6 77.1 154.1 117.6 133.4 79.0 77.3 REMARK 620 8 DG A 9 O6 73.0 67.4 101.7 96.7 149.1 63.9 87.5 REMARK 620 9 DG A 4 O6 81.4 78.5 37.8 87.3 72.9 148.2 120.0 137.1 REMARK 620 N 1 2 3 4 5 6 7 8 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 31 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 30 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2LBY RELATED DB: PDB REMARK 900 RELATED ID: 2L7V RELATED DB: PDB REMARK 900 RELATED ID: 2F8U RELATED DB: PDB REMARK 900 RELATED ID: 2M27 RELATED DB: PDB DBREF 1XAV A 1 22 PDB 1XAV 1XAV 1 22 SEQRES 1 A 22 DT DG DA DG DG DG DT DG DG DG DT DA DG SEQRES 2 A 22 DG DG DT DG DG DG DT DA DA HET K A 31 1 HET K A 30 1 HETNAM K POTASSIUM ION FORMUL 2 K 2(K 1+) LINK K K A 30 O6 DG A 9 1555 1555 2.96 LINK K K A 30 O6 DG A 6 1555 1555 2.65 LINK K K A 30 O6 DG A 5 1555 1555 2.80 LINK K K A 30 O6 DG A 19 1555 1555 2.66 LINK K K A 30 O6 DG A 15 1555 1555 2.62 LINK K K A 30 O6 DG A 10 1555 1555 2.64 LINK K K A 30 O6 DG A 18 1555 1555 2.85 LINK K K A 30 O6 DG A 14 1555 1555 2.94 LINK K K A 31 O6 DG A 8 1555 1555 2.66 LINK K K A 31 O6 DG A 5 1555 1555 2.86 LINK K K A 31 N1 DG A 4 1555 1555 3.71 LINK K K A 31 O6 DG A 18 1555 1555 3.21 LINK K K A 31 O6 DG A 17 1555 1555 2.67 LINK K K A 31 O6 DG A 14 1555 1555 2.86 LINK K K A 31 O6 DG A 13 1555 1555 2.65 LINK K K A 31 O6 DG A 9 1555 1555 2.82 LINK K K A 31 O6 DG A 4 1555 1555 2.65 SITE 1 AC1 8 DG A 4 DG A 5 DG A 8 DG A 9 SITE 2 AC1 8 DG A 13 DG A 14 DG A 17 DG A 18 SITE 1 AC2 8 DG A 5 DG A 6 DG A 9 DG A 10 SITE 2 AC2 8 DG A 14 DG A 15 DG A 18 DG A 19 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 - p 17 2 Bytes