Structure of PDB 7orc Chain B

Receptor sequence

>7orcB (length=1299) Species: 9606 (Homo sapiens)

ASELLFYVNGRKVIEKNVDPETMLLPYLRKKLRLTGTKYGCGGGGCGACT
VMISRYNPITKRIRHHPANACLIPICSLYGAAVTTVEGIGSTHTRIHPVQ
ERIAKCHGTQCGFCTPGMVMSIYTLLRNHPEPTLDQLTDALGGNLCRCTG
YRPIIDACKTFCKPKLFAEEEFLPLDPTQELIFPPELMIMAEKQSQRTRV
FGSERMMWFSPVTLKELLEFKFKYPQAPVIMGNTSVGPEVKFKGVFHPVI
ISPDRIEELSVVNHAYNGLTLGAGLSLAQVKDILADVVQKLPEEKTQMYH
ALLKHLGTLAGSQIRNMASLGGHIISRHPDSDLNPILAVGNCTLNLLSKE
GKRQIPLNEQFLSKCPNADLKPQEILVSVNIPYSRKWEFVSAFRQAQRQE
NALAIVNSGMRVFFGEGDGIIRELCISYGGVGPATICAKNSCQKLIGRHW
NEQMLDIACRLILNEVSLLGSAPGGKVEFKRTLIISFLFKFYLEVSQILK
KMDPVHYPSLADKYESALEDLHSKHHCSTLKYQNPKQHPEDPIGHPIMHL
SGVKHATGEAIYCDDMPLVDQELFLTFVTSSRAHAKIVSIDLSEALSMPG
VVDIMTAEHLSDVNSFCFFTEAEKFLATDKVFCVGQLVCAVLADSEVQAK
RAAKRVKIVYQDLEPLILTIEESIQHNSSFKPERKLEYGNVDEAFKVVDQ
ILEGEIHMGGQEHFYMETQSMLVVPKGEDQEMDVYVSTQFPKYIQDIVAS
TLKLPANKVMCHVRRVGGAFGGKVLKTGIIAAVTAFAANKHGRAVRCVLE
RGEDMLITGGRHPYLGKYKAGFMNDGRILALDMEHYSNAGASLDESLFVI
EMGLLKMDNAYKFPNLRCRGWACRTNLPSNTAFRGFGFPQAALITESCIT
EVAAKCGLSPEKVRIINMYKEIDQTPYKQEINAKNLIQCWRECMAMSSYS
LRKVAVEKFNAENYWKKKGLAMVPLKFPVGLGSRAAGQAAALVHIYLDGS
VLVTHGGIEMGQGVHTKMIQVVSRELRMPMSNVHLRGTSTETVPNANISG
GSVVADLNGLAVKDACQTLLKRLEPIISKNPKGTWKDWAQTAFDESINLS
AVGYFRGYESDMNWEKGEGQPFEYFVYGAACSEVEIDCLTGDHKNIRTDI
VMDVGCSINPAIDIGQIEGAFIQGMGLYTIEELNYSPQGILHTRGPDQYK
IPAICDMPTELHIALLPPSQNSNTLYSSKGLGESGVFLGCSVFFAIHDAV
SAARQERGLHGPLTLNSPLTPEKIRMACEDKFTKMIPRDEPGSYVPWNV

3D structure

• PDB: 7orc Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case.
• Chain: B
• Resolution: 2.7 Å

Enzymatic activity

• Enzyme Commision number: 1.17.3.-
  1.2.3.1: aldehyde oxidase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	FES	B	C114 G115 C117 C149 C151 M753	C111 G112 C114 C146 C148 M716
BS02	FES	B	G43 C44 G45 G47 C49 G50 C52 N72 C74	G40 C41 G42 G44 C46 G47 C49 N69 C71
BS03	FAD	B	G46 G47 P263 V264 I265 M266 G267 N268 T269 S270 V271 L344 A345 A353 S354 G357 H358 S361 H363 S366 D367 L411 L438	G43 G44 P228 V229 I230 M231 G232 N233 T234 S235 V236 L309 A310 A318 S319 G322 H323 S326 H328 S331 D332 L376 L403
BS04	RAL	B	F653 F656 F777 Y780 D783	F616 F619 F740 Y743 D746	BindingDB: IC50=8.0nM,Ki=2.3nM
BS05	RAL	B	G452 D453 G454 H484 N486 H541 Y542	G417 D418 G419 H449 N451 H506 Y507	BindingDB: IC50=8.0nM,Ki=2.3nM

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

External links

• PDB: RCSB:7orc, PDBe:7orc, PDBj:7orc
• PDBsum: 7orc
• PubMed: 34415167
• UniProt: Q06278|AOXA_HUMAN Aldehyde oxidase (Gene Name=AOX1)