Structure of PDB 8ccq Chain C Binding Site BS03

Receptor Information
>8ccq Chain C (length=843) Species: 1125847 (Pseudorhizobium banfieldiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFKRHIDRLPIIPADAKKHNVTCHFCIVGCGYHAYTWPINKQGGTDPQNN
IFGVDLSEQQQAESDAWYSPSMYNVVKQDGRDVHVVIKPDHECVVNSGLG
SVRGARMAETSFSEARNTQQQRLTDPLVWRYGQMQPTSWDDALDLVARVT
AKIVKEKGEDALIVSAFDHGGAGGGYENTWGTGKLYFEAMKVKNIRIHNR
PAYNSEVHGTRDMGVGELNNCYEDAELADTIVAVGTNALETQTNYFLNHW
IPNLRGESLGKKKELMPEEPHEAGRIIIVDPRRTVTVNACEQTAGADNVL
HLAINSGTDLALFNALFTYIADKGWVDRDFIDKSTLREGTARPPLYPARG
VSEANPGHLSSFEDAVEGCRMSIEEAAEITGLDAAQIIKAAEWIGMPKEG
GKRRRVMFGYEKGLIWGNDNYRTNGALVNLALATGNIGRPGGGVVRLGGH
QEGYVRPSDAHVGRPAAYVDQLLIGGQGGVHHIWGCDHYKTTLNAHEFKR
VYKKRTDMVKDAMSAAPYGDREAMVNAIVDAINQGGLFAVNVDIIPTKIG
EACHVILPAATSGEMNLTSMNGERRMRLTERYMDPPGQSMPDCLIAARLA
NTMERVLTEMGDVGYAAQFKGFDWQTEEDAFMDGYNKNAHGGEFVTYERL
SAMGTNGFQEPATGFTDGKIEGTQRLYTDGVFSTDDGKARFMDAPWRGLQ
APGKQQQKDSHKYLINNGRANVVWQSAYLDQENDFVMDRFPYPFIEMNPE
DMAEAGLKEGDLVEIYNDAGATQAMAYPTPTARRGETFMLFGFPTGVQGN
VTSAGTNELIIPNYKQTWGNIRKISDAPRNVAHLSFKSKEYQS
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 chain8ccq Chain C Residue 2006 [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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PDB8ccq Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		C24 C27 C31 Y33 S102 R104 G105 N245
Binding residue
(residue number reindexed from 1)		C23 C26 C30 Y32 S101 R103 G104 N244
Annotation score4
Enzymatic activity
Enzyme Commision number 1.20.98.1: Transferred entry: 1.20.9.1.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ccq, PDBe:8ccq, PDBj:8ccq
PDBsum8ccq
PubMed37442232
UniProtQ6VAL8

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