Structure of PDB 8emt Chain B Binding Site BS01

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 3001 [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)		C114 C117 C149 C151
Binding residue
(residue number reindexed from 1)		C109 C112 C144 C146
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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