Brand  (β version)

PDB ID: 4BTY

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Ligands
Code Name Style Show Link
CA Calcium ion PoSSuM
CU Copper (II) ion PoSSuM
JWF 5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone PoSSuM
Non-standard Residues
Code Name Show
TPQ 5-(2-carboxy-2-aminoethyl)-2-hydroxy-1,4-benzoquinone
Glycosylation
Code Name Emphasize
BMA Beta-D-mannopyranose
MAN Alpha-D-mannopyranose
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
Modification
Code Name Show

Structure summary

Code : 4BTY   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
Release Data : 2013-12-18
Compound :
mol_id molecule chains synonym
1 MEMBRANE PRIMARY AMINE OXIDASE A,B COPPER AMINE OXIDASE, HPAO, SEMICARBAZIDE-SENSITIVE AMINE OXIDASE, SSAO, VASCULAR ADHESION PROTEIN 1, VAP-1
ec: 1.4.3.21
other_details: TYR471 POST TRANSLATIONALLY MODIFIED TO TOPAQUINONE
Source :
mol_id organism_scientific organism_common
1 HOMO SAPIENS  (taxid:9606) HUMAN
tissue: SERUM
Authors : Bligt-Linden, E., Pihlavisto, M., Szatmari, I., Otwinowski, Z., Smith, D.J., Lazar, L., Fulop, F., Salminen, T.A.
Keywords : OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 3.10 Å )
Citation :

Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.

Bligt-Linden, E.,Pihlavisto, M.,Szatmari, I.  et al.
(2013)  J.Med.Chem.  56 : 9837

PubMed: 24304424
DOI: 10.1021/JM401372D

Reaction

Chain : A, B
UniProt : Q16853 (AOC3_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
[Isoform 1]
methylamine + O2 + H2O = formaldehyde + H2O2 + NH4(+) 		- PubMed:19588076
left-to-right
[Isoform 1]
benzylamine + O2 + H2O = benzaldehyde + H2O2 + NH4(+) 		- PubMed:19588076, PubMed:24304424, PubMed:9653080
left-to-right PubMed:19588076
[Isoform 1]
2-phenylethylamine + O2 + H2O = 2-phenylacetaldehyde + H2O2 + NH4(+) 		1.4.3.21 PubMed:19588076
left-to-right
Cofactor: Evidence: Note:
Cu(2+) ECO:0000269 | PubMed:16046623
ECO:0000269 | PubMed:24304424
Binds 1 copper ion per subunit.
Ca(2+) ECO:0000269 | PubMed:16046623
ECO:0000269 | PubMed:24304424
Binds 2 calcium ions per subunit.
L-topaquinone ECO:0000269 | PubMed:16046623
ECO:0000269 | PubMed:24304424
Contains 1 topaquinone per subunit.