Header list of 2gku.pdb file
Complete list - 9 20 Bytes
HEADER DNA 03-APR-06 2GKU
TITLE MONOMERIC HUMAN TELOMERE DNA TETRAPLEX WITH 3+1 STRAND FOLD TOPOLOGY,
TITLE 2 TWO EDGEWISE LOOPS AND DOUBLE-CHAIN REVERSAL LOOP, NMR, 12 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HUMAN TELOMERE DNA;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS G-TETRAD; 3+1 STRAND FOLDING;EDGEWISE, DOUBLE-CHAIN REVERSAL LOOPS;
KEYWDS 2 NMR, 12 STRUCTURES, DNA
EXPDTA SOLUTION NMR
NUMMDL 12
AUTHOR K.N.LUU,A.T.PHAN,V.V.KURYAVYI,L.LACROIX,D.J.PATEL
REVDAT 3 09-MAR-22 2GKU 1 REMARK
REVDAT 2 24-FEB-09 2GKU 1 VERSN
REVDAT 1 15-AUG-06 2GKU 0
JRNL AUTH K.N.LUU,A.T.PHAN,V.V.KURYAVYI,L.LACROIX,D.J.PATEL
JRNL TITL STRUCTURE OF THE HUMAN TELOMERE IN K(+) SOLUTION: AN
JRNL TITL 2 INTRAMOLECULAR (3 + 1) G-QUADRUPLEX SCAFFOLD.
JRNL REF J.AM.CHEM.SOC. V. 128 9963 2006
JRNL REFN ISSN 0002-7863
JRNL PMID 16866556
JRNL DOI 10.1021/JA062791W
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.0, X-PLOR 3.851
REMARK 3 AUTHORS : VARIAN (VNMR), AT BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2GKU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-APR-06.
REMARK 100 THE DEPOSITION ID IS D_1000037243.
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 : 70 MM
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 70 MM KCL 20 MM POTASSIUM
REMARK 210 PHOSPHATE 90% H2O 10% D2O; 70 MM
REMARK 210 KCL 20 MM POTASSIUM PHOSPHATE
REMARK 210 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 1H-1H NOESY; 1H-1H TOCSY; 1H-31P
REMARK 210 COSY; 1H-1H COSY; 1H-15N JRHMQC;
REMARK 210 1H-15N HMBC
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA; AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 2000, X-PLOR 3.851
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS CARTESIAN
REMARK 210 DYNAMICS MATRIX RELAXATION
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 12
REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH
REMARK 210 EXPERIMENTAL NOESY SPECTRUM
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
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 DT A 1 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 DT A 2 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES
REMARK 500 1 DT A 2 C6 - C5 - C7 ANGL. DEV. = -3.8 DEGREES
REMARK 500 1 DG A 3 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 DG A 4 O4' - C1' - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 DG A 5 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 1 DT A 6 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES
REMARK 500 1 DT A 6 C6 - C5 - C7 ANGL. DEV. = -3.6 DEGREES
REMARK 500 1 DT A 7 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 DA A 8 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 1 DG A 9 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DG A 10 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 1 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 1 DT A 12 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES
REMARK 500 1 DT A 12 C6 - C5 - C7 ANGL. DEV. = -3.6 DEGREES
REMARK 500 1 DT A 13 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 DA A 14 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 1 DG A 15 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 DG A 16 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DG A 17 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 DT A 18 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 1 DT A 19 O4' - C1' - N1 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 DA A 20 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 DG A 21 O4' - C1' - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 DG A 22 O4' - C1' - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 DG A 23 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 DA A 24 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 2 DT A 1 O4' - C1' - N1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 2 DT A 2 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES
REMARK 500 2 DT A 2 C6 - C5 - C7 ANGL. DEV. = -4.0 DEGREES
REMARK 500 2 DG A 3 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES
REMARK 500 2 DG A 4 O4' - C1' - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 DG A 5 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES
REMARK 500 2 DT A 6 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 2 DT A 7 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES
REMARK 500 2 DA A 8 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES
REMARK 500 2 DG A 9 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 2 DG A 10 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 2 DG A 11 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES
REMARK 500 2 DT A 12 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES
REMARK 500 2 DT A 13 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 2 DA A 14 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 2 DG A 15 O4' - C1' - N9 ANGL. DEV. = 4.0 DEGREES
REMARK 500 2 DG A 16 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES
REMARK 500 2 DG A 17 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 2 DT A 18 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 2 DT A 19 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 2 DT A 19 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES
REMARK 500 2 DA A 20 O4' - C1' - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 DG A 21 O4' - C1' - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 318 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 143D RELATED DB: PDB
REMARK 900 HUMAN TELOMERE DNA SOLUTION STRUCTURE IN THE PRESENCE OF NA CATIONS
REMARK 900 RELATED ID: 186D RELATED DB: PDB
REMARK 900 TETRAHYMENA TELOMERE DNA SOLUTION STRUCTURE
REMARK 900 RELATED ID: 1K8P RELATED DB: PDB
REMARK 900 HUMAN TELOMERE DNA CRYSTAL STRUCTURE IN THE PRESENCE OF K CATIONS
REMARK 900 RELATED ID: 2AQY RELATED DB: PDB
REMARK 900 3 REPEATS OF HUMAN TELOMERE DNA SOLUTION STRUCTURE
DBREF 2GKU A 1 24 PDB 2GKU 2GKU 1 24
SEQRES 1 A 24 DT DT DG DG DG DT DT DA DG DG DG DT DT
SEQRES 2 A 24 DA DG DG DG DT DT DA DG DG DG DA
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 - 9 20 Bytes