2024-03-23_00000004
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medium
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8CQT
Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_1316);
X-ray diffraction 2.20Å
Protein #1
180 residues (91% resolved)
Raw Sequence ...
GPMDFLQLVLSRQSDRAYDKGRPVEAEKLERILEAARLSPSACNAQPWKFVVVTDHELALKVGRAAAGLGMNKFAKDAPVHILIVEESANITSLLGGKVKDKHFPLIDIGIAAAHITLAAESEGLGSCILGWFDEKEIKQLTGIPASKRLLLDIAIGYPVKEKRKKMRKTKEKVISYNRY
Canonical Sequence ...
GPMDFLQLVLSRQSDRAYDKGRPVEAEKLERILEAARLSPSACNAQPWKFVVVTDHELALKVGRAAAGLGMNKFAKDAPVHILIVEESANITSLLGGKVKDKHFPLIDIGIAAAHITLAAESEGLGSCILGWFDEKEIKQLTGIPASKRLLLDIAIGYPVKEKRKKMRKTKEKVISYNRY
Non polymer #2
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #3
FMN
InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
SMILES: Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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