Structure of PDB 8ch9 Chain A Binding Site BS04

Receptor Information
>8ch9 Chain A (length=822) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDRITLPPANAQRTNMTCHFCIVGCGYHVYKWPELQEGGRAPEQNALGLD
FRKQLPPLAVTLTPAMTNVVTEHNGRRYNIMVVPDKACVVNSGLSSTRGG
KMASYMYTPTGDGKQRLKAPRLYAADQWVDTTWDHAMALYAGLIKKTLDK
DGPQGVFFSCFDHGGAGGGFENTWGTGKLMFSAIQTPMVRIHNRPAYNSE
CHATREMGIGELNNAYEDAQLADVIWSIGNNPYESQTNYFLNHWLPNLQG
ATTSKKKERFPNENFPQARIIFVDPRETPSVAIARHVAGNDRVLHLAIEP
GTDTALFNGLFTYVVEQGWIDKPFIEAHTKGFDDAVKTNRLSLDECSNIT
GVPVDMLKRAAEWSYKPKASGQAPRTMHAYEKGIIWGNDNYVIQSALLDL
VIATHNVGRRGTGCVRMGGHQEGYTRPPYPGDKKIYIDQELIKGKGRIMT
WWGCNNFQTSNNAQALREAILQRSAIVKQAMQKARGATTEEMVDVIYEAT
QNGGLFVTSINLYPTKLAEAAHLMLPAAHPGEMNLTSMNGERRIRLSEKF
MDPPGTAMADCLIAARIANALRDMYQKDGKAEMAAQFEGFDWKTEEDAFN
DGFRRAGQPGAPAIDSQGGSTGHLVTYDRLRKSGNNGVQLPVVSWDESKG
LVGTEMLYTEGKFDTDDGKAHFKPAPWNGLPATVQQQKDKYRFWLNNGRN
NEVWQTAYHDQYNSLMQERYPMAYIEMNPDDCKQLDVTGGDIVEVYNDFG
STFAMVYPVAEIKRGQTFMLFGYVNGIQGDVTTDWTDRNIIPYYKGTWGD
IRKVGSMEEFKRTVSFKSRRFA
Ligand information
Ligand IDFC6
InChIInChI=1S/6CN.Fe/c6*1-2;
InChIKeyHCMVSLMENOCDCK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N
ACDLabs 10.04
CACTVS 3.341		N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N
FormulaC6 Fe N6
NameHEXACYANOFERRATE(3-);
FERRI(III)HEXACYANIDE
ChEMBL
DrugBank
ZINC
PDB chain8ch9 Chain A Residue 904 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ch9 Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenic oxyanion
Resolution1.43 Å
Binding residue
(original residue number in PDB)		D744 K806 S809 K814
Binding residue
(residue number reindexed from 1)		D741 K803 S806 K811
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:8ch9, PDBe:8ch9, PDBj:8ch9
PDBsum8ch9
PubMed
UniProtQ7SIF4|AIOA_ALCFA Arsenite oxidase subunit AioA (Gene Name=aioA)

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