2024-09-07_00000145
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hard
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8URK
Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrates;
X-ray diffraction 2.11Å
Protein #1
283 residues (88% resolved)
Raw Sequence ...
MRDLIEEPGGGAASEAGAVQPAAAVPRALPSGIELHNRDFLTDAAHLPDASIDLIVADPPYGLGKDYGNDSDKRSGDDFLAWTREWLELAIPKLKPSGSMYIFCTWQYAPEIFSFLKTQLTMVNEIIWDRRVPSMGGTTRRFTSVHDNIGFFAVSRAYYFDLDPVRIPYDADTKKARSRKLFEGSKWLEMGYNPKDVWSVSRLHRQHAERVDHPTQKPLEIIERMVLASCPPGGRVLDPFMGSGTTAVACARQGRDFVGYEINESYCAIAHERVNALAAPACA
Canonical Sequence ...
MRDLIEEPGGGAASEAGAVQPAAAVPRALPSGIELHNRDFLTDAAHLPDASIDLIVADPPYGLGKDYGNDSDKRSGDDFLAWTREWLELAIPKLKPSGSMYIFCTWQYAPEIFSFLKTQLTMVNEIIWDRRVPSMGGTTRRFTSVHDNIGFFAVSRAYYFDLDPVRIPYDADTKKARSRKLFEGSKWLEMGYNPKDVWSVSRLHRQHAERVDHPTQKPLEIIERMVLASCPPGGRVLDPFMGSGTTAVACARQGRDFVGYEINESYCAIAHERVNALAAPACA
DNA #2
14 bases
Raw Sequence ...
(DT)(DT)(DG)(DT)(DT)(DA)(DA)(DC)(DT)(DA)(DG)(DC)(DC)(DA)
Canonical Sequence ...
TTGTTAACTAGCCA
DNA #3
14 bases
Raw Sequence ...
(DA)(DT)(DG)(DG)(DC)(DT)(DA)(DG)(DT)(DT)(DA)(DA)(DC)(DA)
Canonical Sequence ...
ATGGCTAGTTAACA
Non polymer #4
EPE
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O
C1CN(CCN1CCO)CCS(=O)(=O)O
Non polymer #5
SFG
InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N
Biounit #1
hetero-2-2-2-2-mer
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Biounit #2
hetero-2-2-2-mer
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Model
Reference
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