Header list of 1evn.pdb file
Complete list - 16 20 Bytes
HEADER DNA 20-APR-00 1EVN
TITLE NMR OBSERVATION OF A-TETRAD
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA (5'-D(*AP*GP*GP*GP*T)-3');
COMPND 3 CHAIN: M, N, O, P;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: PARALLEL STRANDED DNA QUADRUPLEX STRUCTURE
COMPND 6 INCORPORATING A-TETRAD
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS A-TETRAD, HUMAN TELOMERE, G-QUADRUPLEX, DNA
EXPDTA SOLUTION NMR
NUMMDL 7
AUTHOR P.K.PATEL,A.S.R.KOTI,R.V.HOSUR
REVDAT 4 16-FEB-22 1EVN 1 REMARK
REVDAT 3 24-FEB-09 1EVN 1 VERSN
REVDAT 2 01-APR-03 1EVN 1 JRNL
REVDAT 1 22-MAY-00 1EVN 0
JRNL AUTH P.K.PATEL,A.S.KOTI,R.V.HOSUR
JRNL TITL NMR STUDIES ON TRUNCATED SEQUENCES OF HUMAN TELOMERIC DNA:
JRNL TITL 2 OBSERVATION OF A NOVEL A-TETRAD.
JRNL REF NUCLEIC ACIDS RES. V. 27 3836 1999
JRNL REFN ISSN 0305-1048
JRNL PMID 10481022
JRNL DOI 10.1093/NAR/27.19.3836
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1, IRMA 2.3
REMARK 3 AUTHORS : VARIAN (VNMR), BIOSYM (IRMA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1EVN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-APR-00.
REMARK 100 THE DEPOSITION ID IS D_1000010932.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL; NULL
REMARK 210 PH : 7.3; 7.3
REMARK 210 IONIC STRENGTH : NULL; NULL
REMARK 210 PRESSURE : 1 ATM; 1 ATM
REMARK 210 SAMPLE CONTENTS : 2 MM POTASSIUM PHOSPHATE, 0.2 MM
REMARK 210 EDTA, 2-100 MM KCL; 2 MM
REMARK 210 POTASSIUM PHOSPHATE, 0.2 MM EDTA,
REMARK 210 2-100 MM KCL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; E-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : UNITYPLUS; AMX
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 230 AND 97, XWINNMR 1.3,
REMARK 210 DISCOVER 3.1
REMARK 210 METHOD USED : RESTRAINED ENERGY MINIMIZATION,
REMARK 210 SIMULATED ANNEALING-RESTRAINED
REMARK 210 MOLECULAR DYNAMICS. ITERATIVE
REMARK 210 RELAXATION MATRIX REFINEMENT
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 8
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 7
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: TEMPERATURE, PH AND SALT DEPENDENT 1D SPECTRA. TEMPERATURE
REMARK 210 VARIED FROM 0 TO 70 C
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: TETRAMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: M, N, O, P
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 DA M 101 C4 - C5 - C6 ANGL. DEV. = -3.7 DEGREES
REMARK 500 1 DA M 101 C5 - C6 - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 1 DA M 101 N1 - C6 - N6 ANGL. DEV. = -4.9 DEGREES
REMARK 500 1 DG M 104 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES
REMARK 500 1 DT M 105 C6 - C5 - C7 ANGL. DEV. = -3.6 DEGREES
REMARK 500 1 DA N 201 C4 - C5 - C6 ANGL. DEV. = -3.8 DEGREES
REMARK 500 1 DA N 201 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 DA N 201 N1 - C6 - N6 ANGL. DEV. = -5.0 DEGREES
REMARK 500 1 DG N 203 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES
REMARK 500 1 DG N 204 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 1 DA O 301 C4 - C5 - C6 ANGL. DEV. = -3.8 DEGREES
REMARK 500 1 DA O 301 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 DA O 301 N1 - C6 - N6 ANGL. DEV. = -4.8 DEGREES
REMARK 500 1 DG O 303 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 1 DG O 304 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 1 DT O 305 C6 - C5 - C7 ANGL. DEV. = -3.8 DEGREES
REMARK 500 1 DA P 401 C4 - C5 - C6 ANGL. DEV. = -3.8 DEGREES
REMARK 500 1 DA P 401 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 DA P 401 N1 - C6 - N6 ANGL. DEV. = -4.8 DEGREES
REMARK 500 1 DG P 403 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DG P 404 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES
REMARK 500 2 DA M 101 C4 - C5 - C6 ANGL. DEV. = -3.8 DEGREES
REMARK 500 2 DA M 101 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 DA M 101 N1 - C6 - N6 ANGL. DEV. = -4.9 DEGREES
REMARK 500 2 DG M 103 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES
REMARK 500 2 DG M 104 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 2 DA N 201 C4 - C5 - C6 ANGL. DEV. = -3.8 DEGREES
REMARK 500 2 DA N 201 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 DA N 201 N1 - C6 - N6 ANGL. DEV. = -4.6 DEGREES
REMARK 500 2 DG N 203 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES
REMARK 500 2 DG N 204 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES
REMARK 500 2 DT N 205 C6 - C5 - C7 ANGL. DEV. = -3.9 DEGREES
REMARK 500 2 DA O 301 C4 - C5 - C6 ANGL. DEV. = -3.8 DEGREES
REMARK 500 2 DA O 301 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 DA O 301 N1 - C6 - N6 ANGL. DEV. = -4.9 DEGREES
REMARK 500 2 DG O 303 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES
REMARK 500 2 DG O 304 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES
REMARK 500 2 DA P 401 C4 - C5 - C6 ANGL. DEV. = -3.8 DEGREES
REMARK 500 2 DA P 401 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 DA P 401 N1 - C6 - N6 ANGL. DEV. = -4.8 DEGREES
REMARK 500 2 DG P 403 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES
REMARK 500 2 DG P 404 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES
REMARK 500 3 DA M 101 C4 - C5 - C6 ANGL. DEV. = -3.8 DEGREES
REMARK 500 3 DA M 101 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 3 DA M 101 N1 - C6 - N6 ANGL. DEV. = -4.7 DEGREES
REMARK 500 3 DG M 103 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES
REMARK 500 3 DG M 104 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 3 DT M 105 C6 - C5 - C7 ANGL. DEV. = -3.9 DEGREES
REMARK 500 3 DA N 201 C4 - C5 - C6 ANGL. DEV. = -3.7 DEGREES
REMARK 500 3 DA N 201 C5 - C6 - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 162 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 DG M 102 0.11 SIDE CHAIN
REMARK 500 1 DG N 202 0.06 SIDE CHAIN
REMARK 500 1 DG N 203 0.06 SIDE CHAIN
REMARK 500 1 DT N 205 0.08 SIDE CHAIN
REMARK 500 1 DG O 302 0.07 SIDE CHAIN
REMARK 500 1 DG O 303 0.06 SIDE CHAIN
REMARK 500 1 DT O 305 0.10 SIDE CHAIN
REMARK 500 1 DG P 402 0.08 SIDE CHAIN
REMARK 500 1 DG P 403 0.07 SIDE CHAIN
REMARK 500 1 DG P 404 0.06 SIDE CHAIN
REMARK 500 1 DT P 405 0.09 SIDE CHAIN
REMARK 500 2 DG M 102 0.08 SIDE CHAIN
REMARK 500 2 DG M 103 0.06 SIDE CHAIN
REMARK 500 2 DT M 105 0.08 SIDE CHAIN
REMARK 500 2 DG N 202 0.08 SIDE CHAIN
REMARK 500 2 DG N 203 0.06 SIDE CHAIN
REMARK 500 2 DT N 205 0.09 SIDE CHAIN
REMARK 500 2 DG O 302 0.09 SIDE CHAIN
REMARK 500 2 DG O 303 0.07 SIDE CHAIN
REMARK 500 2 DG O 304 0.06 SIDE CHAIN
REMARK 500 2 DT O 305 0.08 SIDE CHAIN
REMARK 500 2 DG P 402 0.08 SIDE CHAIN
REMARK 500 2 DG P 403 0.06 SIDE CHAIN
REMARK 500 3 DG M 102 0.08 SIDE CHAIN
REMARK 500 3 DG M 103 0.06 SIDE CHAIN
REMARK 500 3 DT M 105 0.09 SIDE CHAIN
REMARK 500 3 DG N 202 0.11 SIDE CHAIN
REMARK 500 3 DG N 203 0.05 SIDE CHAIN
REMARK 500 3 DT N 205 0.08 SIDE CHAIN
REMARK 500 3 DG O 302 0.07 SIDE CHAIN
REMARK 500 3 DG O 303 0.07 SIDE CHAIN
REMARK 500 3 DT O 305 0.08 SIDE CHAIN
REMARK 500 3 DG P 402 0.08 SIDE CHAIN
REMARK 500 3 DG P 403 0.06 SIDE CHAIN
REMARK 500 3 DT P 405 0.09 SIDE CHAIN
REMARK 500 4 DG M 102 0.08 SIDE CHAIN
REMARK 500 4 DG M 103 0.06 SIDE CHAIN
REMARK 500 4 DT M 105 0.08 SIDE CHAIN
REMARK 500 4 DG N 202 0.09 SIDE CHAIN
REMARK 500 4 DG N 203 0.06 SIDE CHAIN
REMARK 500 4 DT N 205 0.08 SIDE CHAIN
REMARK 500 4 DG O 302 0.09 SIDE CHAIN
REMARK 500 4 DG O 303 0.06 SIDE CHAIN
REMARK 500 4 DT O 305 0.08 SIDE CHAIN
REMARK 500 4 DG P 402 0.08 SIDE CHAIN
REMARK 500 4 DG P 403 0.06 SIDE CHAIN
REMARK 500 4 DT P 405 0.08 SIDE CHAIN
REMARK 500 5 DG M 102 0.07 SIDE CHAIN
REMARK 500 5 DG M 103 0.07 SIDE CHAIN
REMARK 500 5 DT M 105 0.08 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 83 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1EVN M 101 105 PDB 1EVN 1EVN 101 105
DBREF 1EVN N 201 205 PDB 1EVN 1EVN 201 205
DBREF 1EVN O 301 305 PDB 1EVN 1EVN 301 305
DBREF 1EVN P 401 405 PDB 1EVN 1EVN 401 405
SEQRES 1 M 5 DA DG DG DG DT
SEQRES 1 N 5 DA DG DG DG DT
SEQRES 1 O 5 DA DG DG DG DT
SEQRES 1 P 5 DA DG DG DG DT
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 - 16 20 Bytes