Structure of PDB 8ch9 Chain C Binding Site BS03

Receptor Information
>8ch9 Chain C (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 IDF3S
InChIInChI=1S/3Fe.4S
InChIKeyFCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S]2[Fe]1S3
FormulaFe3 S4
NameFE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8ch9 Chain C Residue 903 [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)		C21 C24 G27 C28 Y30 S99 R101 G102 N241
Binding residue
(residue number reindexed from 1)		C19 C22 G25 C26 Y28 S97 R99 G100 N239
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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