Structure of PDB 5ogx Chain A Binding Site BS01

Receptor Information
>5ogx Chain A (length=333) Species: 1068978 (Amycolatopsis methanolica 239) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFAVSVGGRRVDCEPGQTLLEAFLRGGVWMPNSCNQGTCGTCKLQVLSGE
VDHGGAPEDTLSAEERASGLALACQARPLADTEVRSTADAGRVTHPLRDL
TATVLEVADIARDTRRVLLGLAEPLAFEAGQYVELVVPGSGARRQYSLAN
TADEDKVLELHVRRVPGGVATDGWLFDGLAAGDRVEATGPLGDFHLPPPD
EDDGGPMVLIGGGTGLAPLVGIARTALARHPSREVLLYHGVRGAADLYDL
GRFAEIAEEHPGFRFVPVLSDEPDPAYRGGFPTDAFVEDVPSGRGWSGWL
CGPPAMVEAGVKAFKRRRMSPRRIHREKFTPAS
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain5ogx Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5ogx A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		Y133 R145 Q146 Y147 S148 H162 V163 V166 G169 V170 A171 T172 T215 F330 P332 S334
Binding residue
(residue number reindexed from 1)		Y132 R144 Q145 Y146 S147 H161 V162 V165 G168 V169 A170 T171 T214 F329 P331 S333
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:5ogx, PDBe:5ogx, PDBj:5ogx
PDBsum5ogx
PubMed29950589
UniProtA0A076MZ01

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