2024-03-23_00000006|medium|8CQV

Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_3392); X-ray diffraction 1.70Å

Protein #1 202 residues (100% resolved)

Raw Sequence ...

GPMERTFSEALKNRRTYYSITDQSPIPDQEIECIINLAVRHVPSAFNSQSTRVVLLLGKSHKKLWNIVKDALRKIVPGEAFAKTEEKIDNSFACGYGTVLFFEDQKVVKGLQEAFPSYQENFPGWSLQTSAMHQLAVWVMLEDVGFGASLQHYNPLIDDEVRRAWNLPAHWHLIAEMPFGVPVNKPGEKEFQPLEERIKVFK

Canonical Sequence ...

Non polymer #2 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

SMILES: C(CO)O

C(CO)O

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

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

Non polymer #4 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Non polymer #5 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

SMILES: C(COCCO)O

C(COCCO)O

Non polymer #6 PGE

InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

SMILES: C(COCCOCCO)O

C(COCCOCCO)O

Biounit #1 homo-dimer

Reference