2025-08-30_00000094
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medium
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9GJX
Bacillus licheniformis nitroreductase;
X-ray diffraction 2.40Å
Protein #1
248 residues (92% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMMTEQSKKQEILDAFQFRHATKEFDPDRKISDEDFQFILEAGRLSPSSVGLEPWQFVVVQNKELREKLRQVSWGAQGQLPTASHFVLLLGRTAKEMRRDSGYVADQLKHVKKMPEDIIENMLKEDGVLESFQDGDFHLYESDRAMFDWVSKQTYIALANMMTAAALIGIDSCPIEGFNYDKVHDILEKEGVLEDGRFDISVMAAFGYRVKEPRPKTRRALDQIVKWVE
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMMTEQSKKQEILDAFQFRHATKEFDPDRKISDEDFQFILEAGRLSPSSVGLEPWQFVVVQNKELREKLRQVSWGAQGQLPTASHFVLLLGRTAKEMRRDSGYVADQLKHVKKMPEDIIENMLKEDGVLESFQDGDFHLYESDRAMFDWVSKQTYIALANMMTAAALIGIDSCPIEGFNYDKVHDILEKEGVLEDGRFDISVMAAFGYRVKEPRPKTRRALDQIVKWVE
Non polymer #2
CB1
InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)
InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)
SMILES: c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N
c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #4
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
Non polymer #5
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
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Biounit #3
homo-dimer
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Model
Reference
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