Structure of PDB 8emt Chain B Binding Site BS02

Receptor Information
>8emt Chain B (length=1221) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELLFYVNGRKVIEKNVDPETMLLPYLRKKLRLTGTKYGCGGGGCGACTVM
ISRYNPITKRIRHHPANACLIPICSLYGAAVTTVEGIGSTHTRIHPVQER
IAKCHGTQCGFCTPGMVMSIYTLLRNHPEPTLDQLTDALGGNLCRCTGYR
PIIDACKTFCKELIFPPELMIMAEKQSQRTRVFGSERMMWFSPVTLKELL
EFKFKYPQAPVIMGNTSVGPEVKFKGVFHPVIISPDRIEELSVVNHAYNG
LTLGAGLSLAQVKDILADVVQKLPEEKTQMYHALLKHLGTLAGSQIRNMA
SLGGHIISRHPDSDLNPILAVGNCTLNLLSKEGKRQIPLNEQFLSKCPNA
DLKPQEILVSVNIPYSRKWEFVSAFRQAQRQENALAIVNSGMRVFFGEGD
GIIRELCISYGGVGPATICAKNSCQKLIGRHWNEQMLDIACRLILNEVSL
LGSAPGGKVEFKRTLIISFLFKFYLEVSQILKKMDDPIGHPIMHLSGVKH
ATGEAIYCDDMPLVDQELFLTFVTSSRAHAKIVSIDLSEALSMPGVVDIM
TAEHFLATDKVFCVGQLVCAVLADSEVQAKRAAKRVKIVYQDLEPLILTI
EESPERKLEYGNVDEAFKVVDQILEGEIHMGGQEHFYMETQSMLVVPKGE
DQEMDVYVSTQFPKYIQDIVASTLKLPANKVMCHVRRVGGAFGGKVLKTG
IIAAVTAFAANKHGRAVRCVLERGEDMLITGGRHPYLGKYKAGFMNDGRI
LALDMEHYSNAGASLDESLFVIEMGLLKMDNAYKFPNLRCRGWACRTNLP
SNTAFRGFGFPQAALITESCITEVAAKCGLSPEKVRIINMYKEIDQTPYK
QEINAKNLIQCWRECMAMSSYSLRKVAVEKFNAENYWKKKGLAMVPLKFP
VGLGSRAAGQAAALVHIYLDGSVLVTHGGIEMGQGVHTKMIQVVSRELRM
PMSNVHLRGTSTETVPNANISGGSVVADLNGLAVKDACQTLLKRLEPIIS
KNPKGTWKDWAQTAFDESINLSAVGYFRGYESDMNWEKGEGQPFEYFVYG
AACSEVEIDCLTGDHKNIRTDIVMDVGCSINPAIDIGQIEGAFIQGMGLY
TIEELNYSPQGILHTRGPDQYKIPAICDMPTELHIALLPPSQNSNTLYSS
KGLGESGVFLGCSVFFAIHDAVSAARQERGLHGPLTLNSPLTPEKIRMAC
EDKFTKMIPRDEPGSYVPWNV
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8emt Chain B Residue 3002 [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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PDB8emt Cryo-EM analysis of the human aldehyde oxidase from liver
Resolution2.92 Å
Binding residue
(original residue number in PDB)		G43 C44 G45 G47 C49 G50 C52 C74
Binding residue
(residue number reindexed from 1)		G38 C39 G40 G42 C44 G45 C47 C69
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.3.-
1.2.3.1: aldehyde oxidase.
Gene Ontology
Molecular Function
GO:0004031 aldehyde oxidase activity
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
GO:0051287 NAD binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0071949 FAD binding
Biological Process
GO:0006629 lipid metabolic process
GO:0006805 xenobiotic metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8emt, PDBe:8emt, PDBj:8emt
PDBsum8emt
PubMed37289586
UniProtQ06278|AOXA_HUMAN Aldehyde oxidase (Gene Name=AOX1)

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