Structure of PDB 1g8k Chain E Binding Site BS01

Receptor Information
>1g8k Chain E (length=822) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDRITLPPANAQRTNMTCHFCIVGCGYHVYKWPELEEGGRAPEQNALGLD
FRKQLPPLAVTLTPAMTNVVTEHDGARYDIMVVPDKACVVNSGLSSTRGG
KMASYMYTPTGDGKERLSAPRLYAADEWVDTTWDHAMALYAGLIKKTLDK
DGPQGVFFSCFDHGGAGGGFENTWGTGKLMFSAIQTPMVRIHNRPAYNSE
CHATREMGIGELNNAYEDAQLADVIWSIGNNPYESQTNYFLNHWLPNLQG
ATTSKKKERFPNENFPQARIIFVDPRETPSVAIARHVAGNDRVLHLAIEP
GTDTALFNGLFTYVVEQGWIDKPFIEAHTKGFDDAVKTNRLSLDECSNIT
GVPVDMLKRAAEWSYKPKASGQAPRTMHAYEKGIIWGNDNYVIQSALLDL
VIATHNVGRRGTGCVRMGGHQEGYTRPPYPGDKKIYIDQELIKGKGRIMT
WWGCNNFQTSNNAQALREAILQRSAIVKQAMQKARGATTEEMVDVIYEAT
QNGGLFVTSINLYPTKLAEAAHLMLPAAHPGEMNLTSMNGERRIRLSEKF
MDPPGTAMADCLIAARIANALRDMYQKDGKAEMAAQFEGFDWKTEEDAFN
DGFRRAGQPGAPAIDSQGGSTGHLVTYDRLRKSGNNGVQLPVVSWDESKG
LVGTEMLYTEGKFDTDDGKAHFKPAPWNGLPATVQQQKDKYRFWLNNGRN
NEVWQTAYHDQYNSLMQERYPMAYIEMNPDDCKQLDVTGGDIVEVYNDFG
STFAMVYPVAEIKRGQTFMLFGYVNGIQGDVTTDWTDRDIIPYYKGTWGD
IRKVGSMSEFKRTVSFKSRRFG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1g8k Chain E Residue 5208 [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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PDB1g8k Crystal structure of the 100 kDa arsenite oxidase from Alcaligenes faecalis in two crystal forms at 1.64 A and 2.03 A.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		Q467 S754 D783
Binding residue
(residue number reindexed from 1)		Q464 S751 D780
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C24 S98 S99 R101 A199 Y200 S238 G421
Catalytic site (residue number reindexed from 1) C21 S95 S96 R98 A196 Y197 S235 G418
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:1g8k, PDBe:1g8k, PDBj:1g8k
PDBsum1g8k
PubMed11250197
UniProtQ7SIF4|AIOA_ALCFA Arsenite oxidase subunit AioA (Gene Name=aioA)

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