Structure of PDB 4uhx Chain A

Receptor sequence

>4uhxA (length=1290) Species: 9606 (Homo sapiens)

ASELLFYVNGRKVIEKNVDPETMLLPYLRKKLRLTGTKYGCGGGGCGACT
VMISRYNPITKRIRHHPANACLIPICSLYGAAVTTVEGIGSTHTRIHPVQ
ERIAKCHGTQCGFCTPGMVMSIYTLLRNHPEPTLDQLTDALGGNLCRCTG
YRPIIDACKTFCKTPKLFAEEEFLPLDPTQELIFPPELMIMAEKQSQRTR
VFGSERMMWFSPVTLKELLEFKFKYPQAPVIMGNTSVGPEVKFKGVFHPV
IISPDRIEELSVVNHAYNGLTLGAGLSLAQVKDILADVVQKLPEEKTQMY
HALLKHLGTLAGSQIRNMASLGGHIISRHPDSDLNPILAVGNCTLNLLSK
EGKRQIPLNEQFLSKCPNADLKPQEILVSVNIPYSRKWEFVSAFRQAQRQ
ENALAIVNSGMRVFFGEGDGIIRELCISYGGVGPATICAKNSCQKLIGRH
WNEQMLDIACRLILNEVSLLGSAPGGKVEFKRTLIISFLFKFYLEVSQIL
KKMDPVHYPSLADKYESALEDLHSHHCSTLKYQNIGPKQHPEDPIGHPIM
HLSGVKHATGEAIYCDDMPLVDQELFLTFVTSSRAHAKIVSIDLSEALSM
PGVVDIMTAEHLSDVNSFCKFLATDKVFCVGQLVCAVLADSEVQAKRAAK
RVKIVYQDLEPLILTIEESIQSFKPERKLEYGNVDEAFKVVDQILEGEIH
MGGQEHFYMETQSMLVVPKGEDQEMDVYVSTQFPKYIQDIVASTLKLPAN
KVMCHVRRVGGAFGGKVLKTGIIAAVTAFAANKHGRAVRCVLERGEDMLI
TGGRHPYLGKYKAGFMNDGRILALDMEHYSNAGASLSLFVIEMGLLKMDN
AYKFPNLRCRGWACRTNLPSNTAFRGFGFPQAALITESCITEVAAKCGLS
PEKVRIINMYKEIDQTPYKQEINAKNLIQCWRECMAMSSYSLRKVAVEKF
NAENYWKKKGLAMVPLKFPVGLGSRAAGQAAALVHIYLDGSVLVTHGGIE
MGQGVHTKMIQVVSRELRMPMSNVHLRGTSTETVPNANISGGSVVADLNG
LAVKDACQTLLKRLEPIISKNPKGTWKDWAQTAFDESINLSAVGYFRGYE
SDMNWEKGEGQPFEYFVYGAACSEVEIDCLTGDHKNIRTDIVMDVGCSIN
PAIDIGQIEGAFIQGMGLYTIEELNYSPQGILHTRGPDQYKIPAICDMPT
ELHIALLPPSQNSNTLYSSKGLGESGVFLGCSVFFAIHDAVSAARQERGL
HGPLTLNSPLTPEKIRMACEDKFTKMIPRDEPGSYVPWNV

3D structure

• PDB: 4uhx Structural Insights Into Xenobiotic and Inhibitor Binding to Human Aldehyde Oxidase
• Chain: A
• Resolution: 2.7 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Q776 V811 M889 K893 R921 G1269 E1270
• Catalytic site (residue number reindexed from 1): Q732 V767 M843 K847 R875 G1223 E1224
• 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	A	C114 G115 C117 C149 C151	C111 G112 C114 C146 C148
BS02	FES	A	G43 C44 G45 G47 C49 G50 C52 N72 C74	G40 C41 G42 G44 C46 G47 C49 N69 C71
BS03	FAD	A	G46 G47 P263 V264 I265 M266 G267 N268 T269 S270 V271 L344 A345 A353 S354 G357 H358 I360 H363 S366 D367 L411 L438	G43 G44 P229 V230 I231 M232 G233 N234 T235 S236 V237 L310 A311 A319 S320 G323 H324 I326 H329 S332 D333 L377 L404
BS04	LZU	A	H575 E577 D578 S1060 R1061 R1064 M1065 P1066 W1125	H540 E542 D543 S1014 R1015 R1018 M1019 P1020 W1079
BS05	RTZ	A	H575 E577 D578 S1060 R1061 R1064 M1065 P1066	H540 E542 D543 S1014 R1015 R1018 M1019 P1020

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:4uhx, PDBe:4uhx, PDBj:4uhx
• PDBsum: 4uhx
• PubMed: 26322824
• UniProt: Q06278|AOXA_HUMAN Aldehyde oxidase (Gene Name=AOX1)