Structure of PDB 2z5y Chain A Binding Site BS03

Receptor Information
>2z5y Chain A (length=513) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMFDVVVIGGGISGLSAAKLLTEYGVSVLVLEARDRVGGRTYTIRNEHVD
YVDVGGAYVGPTQNRILRLSKELGIETYKVNVSERLVQYVKGKTYPFRAA
FPPVWNPIAYLDYNNLWRTIDNMGKEIPTDAPWEAQHADKWDKMTMKELI
DKICWTKTARRFAYLFVNINVTSEPHEVSALWFLWYVKQCGGTTRIFSVT
NGGQERKFVGGSGQVSERIMDLLGDQVKLNHPVTHVDQSSDNIIIETLNH
EHYECKYVINAIPPTLTAKIHFRPELPAERNQLIQRLPMGAVIKCMMYYK
EAFWKKKDYCGCMIIEDEDAPISITLDDTKPDGSLPAIMGFILARKADRL
AKLHKEIRKKKICELYAKVLGSQEALHPVHYEEKNWCEEQYSGGCYTAYF
PPGIMTQYGRVIRQPVGRIFFAGTETATKWSGYMEGAVEAGERAAREVLN
GLGKVTEKDIWVQEPESKDVPAVEITHTFWERNLPSVSGLLKIIGFSTSV
TALGFVLYKYKLL
Ligand information
Ligand IDDCX
InChIInChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3
InChIKeyGSVLCKASFMVUSW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCP(=O)(C)C
ACDLabs 10.04O=P(CCCCCCCCCC)(C)C
CACTVS 3.341CCCCCCCCCC[P](C)(C)=O
FormulaC12 H27 O P
NameDECYL(DIMETHYL)PHOSPHINE OXIDE;
DIMETHYLDECYLPHOSPHINE OXIDE
ChEMBL
DrugBankDB07641
ZINCZINC000003130911
PDB chain2z5y Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2z5y Structure of human monoamine oxidase A at 2.2-A resolution: The control of opening the entry for substrates/inhibitors
Resolution2.17 Å
Binding residue
(original residue number in PDB)		T489 W491
Binding residue
(residue number reindexed from 1)		T478 W480
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G71 R206 K305
Catalytic site (residue number reindexed from 1) G60 R195 K294
Enzyme Commision number 1.4.3.21: primary-amine oxidase.
1.4.3.4: monoamine oxidase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008131 primary methylamine oxidase activity
GO:0016491 oxidoreductase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0052595 aliphatic amine oxidase activity
GO:0097621 monoamine oxidase activity
Biological Process
GO:0006576 biogenic amine metabolic process
GO:0006584 catecholamine metabolic process
GO:0009967 positive regulation of signal transduction
GO:0042420 dopamine catabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005741 mitochondrial outer membrane
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2z5y, PDBe:2z5y, PDBj:2z5y
PDBsum2z5y
PubMed18391214
UniProtP21397|AOFA_HUMAN Amine oxidase [flavin-containing] A (Gene Name=MAOA)

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