Structure of PDB 8cff Chain A Binding Site BS04

Receptor Information
>8cff Chain A (length=823) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNDRITLPPANAQRTNMTCHFCIVGCGYHVYKWPELQEGGRAPEQNALGL
DFRKQLPPLAVTLTPAMTNVVTEHNGRRYNIMVVPDKACVVNSGLSSTRG
GKMASYMYTPTGDGKQRLKAPRLYAADQWVDTTWDHAMALYAGLIKKTLD
KDGPQGVFFSCFDHGGAGGGFENTWGTGKLMFSAIQTPMVRIHNRPAYNS
ECHATREMGIGELNNAYEDAQLADVIWSIGNNPYESQTNYFLNHWLPNLQ
GATTSKKKERFPNENFPQARIIFVDPRETPSVAIARHVAGNDRVLHLAIE
PGTDTALFNGLFTYVVEQGWIDKPFIEAHTKGFDDAVKTNRLSLDECSNI
TGVPVDMLKRAAEWSYKPKASGQAPRTMHAYEKGIIWGNDNYVIQSALLD
LVIATHNVGRRGTGCVRMGGHQEGYTRPPYPGDKKIYIDQELIKGKGRIM
TWWGCNNFQTSNNAQALREAILQRSAIVKQAMQKARGATTEEMVDVIYEA
TQNGGLFVTSINLYPTKLAEAAHLMLPAAHPGEMNLTSMNGERRIRLSEK
FMDPPGTAMADCLIAARIANALRDMYQKDGKAEMAAQFEGFDWKTEEDAF
NDGFRRAGQPGAPAIDSQGGSTGHLVTYDRLRKSGNNGVQLPVVSWDESK
GLVGTEMLYTEGKFDTDDGKAHFKPAPWNGLPATVQQQKDKYRFWLNNGR
NNEVWQTAYHDQYNSLMQERYPMAYIEMNPDDCKQLDVTGGDIVEVYNDF
GSTFAMVYPVAEIKRGQTFMLFGYVNGIQGDVTTDWTDRNIIPYYKGTWG
DIRKVGSMEEFKRTVSFKSRRFA
Ligand information
Ligand IDAST
InChIInChI=1S/AsO3/c2-1(3)4/q-3
InChIKeyOWTFKEBRIAXSMO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[O-][As]([O-])[O-]
FormulaAs O3
NameARSENITE
ChEMBL
DrugBankDB18509
ZINC
PDB chain8cff Chain A Residue 907 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cff Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		H195 N196 E203 R419 H423
Binding residue
(residue number reindexed from 1)		H193 N194 E201 R417 H421
Annotation score1
Enzymatic activity
Enzyme Commision number 1.20.9.1: arsenate reductase (azurin).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0050611 arsenate reductase (azurin) activity
GO:0051536 iron-sulfur cluster binding
GO:0051538 3 iron, 4 sulfur cluster binding
Biological Process
GO:0045333 cellular respiration
Cellular Component
GO:1990204 oxidoreductase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8cff, PDBe:8cff, PDBj:8cff
PDBsum8cff
PubMed37442232
UniProtQ7SIF4|AIOA_ALCFA Arsenite oxidase subunit AioA (Gene Name=aioA)

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