Header list of 1ec4.pdb file
Complete list - 16 20 Bytes
HEADER DNA 25-JAN-00 1EC4 TITLE SOLUTION STRUCTURE OF A HEXITOL NUCLEIC ACID DUPLEX WITH FOUR TITLE 2 CONSECUTIVE T:T BASE PAIRS COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEXITOL DODECANUCLEOTIDE; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: THE SUGAR MOIETIES ARE NOT DEOXYRIBOSE BUT D-ARABINO- COMPND 6 HEXITOL SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS DOUBLE HELIX, ANTISENSE, HEXITOL NUCLEIC ACID, DNA EXPDTA SOLUTION NMR AUTHOR E.LESCRINIER,R.M.ESNOUF,J.SCHRAML,R.BUSSON,P.HERDEWIJN REVDAT 3 16-FEB-22 1EC4 1 REMARK LINK REVDAT 2 24-FEB-09 1EC4 1 VERSN REVDAT 1 22-APR-03 1EC4 0 JRNL AUTH E.LESCRINIER,R.M.ESNOUF,J.SCHRAML,R.BUSSON,H.A.HEUS, JRNL AUTH 2 C.W.HILBERS,P.HERDEWIJN JRNL TITL SOLUTION STRUCTURE OF A HNA-RNA HYBRID JRNL REF CHEM.BIOL. V. 7 719 2000 JRNL REFN ISSN 1074-5521 JRNL PMID 10980452 JRNL DOI 10.1016/S1074-5521(00)00017-X REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.DE WINTER,E.LESCRINIER,A.VAN AERSCHOT,P.HERDEWIJN REMARK 1 TITL MINOR GROOVE HYDRATION CONTRIBUTES TO THE RELATIVE STABILITY REMARK 1 TITL 2 OF HNA/RNA HYBRIDS AS COMPARED TO HNA/DNA COMPLEXES REMARK 1 REF J.AM.CHEM.SOC. V. 120 5381 1998 REMARK 1 REFN ISSN 0002-7863 REMARK 1 DOI 10.1021/JA973721F REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : VNMR 5.3, X-PLOR 3.851 REMARK 3 AUTHORS : VARIAN (VNMR), A.T. BRUNGER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1EC4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-JAN-00. REMARK 100 THE DEPOSITION ID IS D_1000010447. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293; 273 REMARK 210 PH : 7; 7 REMARK 210 IONIC STRENGTH : NULL; NULL REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM HNA; 0.3M NACL; 2MM HNA; REMARK 210 0.3M NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY; H,P-HETCOR; REMARK 210 WATERGATE NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 97, X-PLOR 3.851 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS, AND REMARK 210 'GENTLE' REFINEMENT REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES CLOSEST TO THE REMARK 210 AVERAGE OF ALL REFINED STRUCTURES 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: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 6HC A 10 H21 6HG B 15 1.38 REMARK 500 H22 6HG A 3 O2 6HC B 22 1.39 REMARK 500 H21 6HG A 9 O2 6HC B 16 1.40 REMARK 500 H3 6HT A 7 O2 6HT B 18 1.41 REMARK 500 O2 6HC A 4 H21 6HG B 21 1.42 REMARK 500 H42 6HC A 2 O6 6HG B 23 1.44 REMARK 500 O2 6HT A 6 H3 6HT B 19 1.46 REMARK 500 O4 6HT A 7 H3 6HT B 18 1.46 REMARK 500 O6 6HG A 3 H42 6HC B 22 1.47 REMARK 500 O6 6HG A 11 H41 6HC B 14 1.48 REMARK 500 H22 6HG A 1 O2 6HC B 24 1.48 REMARK 500 H21 6HG A 11 O2 6HC B 14 1.49 REMARK 500 N3 6HC A 2 H1 6HG B 23 1.49 REMARK 500 H1 6HG A 3 N3 6HC B 22 1.49 REMARK 500 O2 6HC A 2 H21 6HG B 23 1.50 REMARK 500 H1 6HG A 9 N3 6HC B 16 1.50 REMARK 500 N3 6HC A 4 H1 6HG B 21 1.53 REMARK 500 H3 6HT A 6 O4 6HT B 19 1.54 REMARK 500 H1 6HG A 11 N3 6HC B 14 1.55 REMARK 500 N3 6HC A 10 H1 6HG B 15 1.57 REMARK 500 O2 6HC A 12 H21 6HG B 13 1.58 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 205D RELATED DB: PDB REMARK 900 RNA DUPLEX; INTERNAL LOOP WITH TWO CONSECUTIVE U:U REMARK 900 RELATED ID: 280D RELATED DB: PDB REMARK 900 RNA DUPLEX; INTERNAL LOOP WITH TWO CONSECUTIVE U:U DBREF 1EC4 A 1 12 PDB 1EC4 1EC4 1 12 DBREF 1EC4 B 13 24 PDB 1EC4 1EC4 13 24 SEQRES 1 A 12 6HG 6HC 6HG 6HC 6HT 6HT 6HT 6HT 6HG 6HC 6HG 6HC SEQRES 1 B 12 6HG 6HC 6HG 6HC 6HT 6HT 6HT 6HT 6HG 6HC 6HG 6HC MODRES 1EC4 6HG A 1 DG MODRES 1EC4 6HC A 2 DC MODRES 1EC4 6HG A 3 DG MODRES 1EC4 6HC A 4 DC MODRES 1EC4 6HT A 5 DT MODRES 1EC4 6HT A 6 DT MODRES 1EC4 6HT A 7 DT MODRES 1EC4 6HT A 8 DT MODRES 1EC4 6HG A 9 DG MODRES 1EC4 6HC A 10 DC MODRES 1EC4 6HG A 11 DG MODRES 1EC4 6HC A 12 DC MODRES 1EC4 6HG B 13 DG MODRES 1EC4 6HC B 14 DC MODRES 1EC4 6HG B 15 DG MODRES 1EC4 6HC B 16 DC MODRES 1EC4 6HT B 17 DT MODRES 1EC4 6HT B 18 DT MODRES 1EC4 6HT B 19 DT MODRES 1EC4 6HT B 20 DT MODRES 1EC4 6HG B 21 DG MODRES 1EC4 6HC B 22 DC MODRES 1EC4 6HG B 23 DG MODRES 1EC4 6HC B 24 DC HET 6HG A 1 34 HET 6HC A 2 33 HET 6HG A 3 36 HET 6HC A 4 33 HET 6HT A 5 35 HET 6HT A 6 35 HET 6HT A 7 35 HET 6HT A 8 35 HET 6HG A 9 36 HET 6HC A 10 33 HET 6HG A 11 36 HET 6HC A 12 34 HET 6HG B 13 34 HET 6HC B 14 33 HET 6HG B 15 36 HET 6HC B 16 33 HET 6HT B 17 35 HET 6HT B 18 35 HET 6HT B 19 35 HET 6HT B 20 35 HET 6HG B 21 36 HET 6HC B 22 33 HET 6HG B 23 36 HET 6HC B 24 34 HETNAM 6HG 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(GUANIN-9-YL)-6'-O- HETNAM 2 6HG PHOSPHORYL-D-ARABINO-HEXITOL HETNAM 6HC 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(CYTOSIN-1-YL)-6'-O- HETNAM 2 6HC PHOSPHORYL-D-ARABINO-HEXITOL HETNAM 6HT 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(THYMIN-1-YL)-6'-O- HETNAM 2 6HT PHOSPHORYL-D-ARABINO-HEXITOL FORMUL 1 6HG 8(C11 H16 N5 O7 P) FORMUL 1 6HC 8(C10 H16 N3 O7 P) FORMUL 1 6HT 8(C11 H17 N2 O8 P) LINK O3' 6HG A 1 P 6HC A 2 1555 1555 1.61 LINK O3' 6HC A 2 P 6HG A 3 1555 1555 1.61 LINK O3' 6HG A 3 P 6HC A 4 1555 1555 1.61 LINK O3' 6HC A 4 P 6HT A 5 1555 1555 1.61 LINK O3' 6HT A 5 P 6HT A 6 1555 1555 1.61 LINK O3' 6HT A 6 P 6HT A 7 1555 1555 1.61 LINK O3' 6HT A 7 P 6HT A 8 1555 1555 1.61 LINK O3' 6HT A 8 P 6HG A 9 1555 1555 1.61 LINK O3' 6HG A 9 P 6HC A 10 1555 1555 1.61 LINK O3' 6HC A 10 P 6HG A 11 1555 1555 1.61 LINK O3' 6HG A 11 P 6HC A 12 1555 1555 1.61 LINK O3' 6HG B 13 P 6HC B 14 1555 1555 1.61 LINK O3' 6HC B 14 P 6HG B 15 1555 1555 1.61 LINK O3' 6HG B 15 P 6HC B 16 1555 1555 1.61 LINK O3' 6HC B 16 P 6HT B 17 1555 1555 1.61 LINK O3' 6HT B 17 P 6HT B 18 1555 1555 1.61 LINK O3' 6HT B 18 P 6HT B 19 1555 1555 1.61 LINK O3' 6HT B 19 P 6HT B 20 1555 1555 1.61 LINK O3' 6HT B 20 P 6HG B 21 1555 1555 1.61 LINK O3' 6HG B 21 P 6HC B 22 1555 1555 1.61 LINK O3' 6HC B 22 P 6HG B 23 1555 1555 1.61 LINK O3' 6HG B 23 P 6HC B 24 1555 1555 1.61 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
Complete list - 16 20 Bytes