Structure of PDB 2e82 Chain C Binding Site BS02

Receptor Information
>2e82 Chain C (length=340) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVVVIGAGVIGLSTALCIHERYHSVLQPLDIKVYADRFTPLTTTDVAAG
LWQPYLSDPNNPQEADWSQQTFDYLLSHVHSPNAENLGLFLISGYNLFHE
AIPDPSWKDTVLGFRKLTPRELDMFPDYGYGWFHTSLILEGKNYLQWLTE
RLTERGVKFFQRKVESFEEVAREGADVIVNCTGVWAGALQRDPLLQPGRG
QIMKVDAPWMKHFILTHDPERGIYNSPYIIPGTQTVTLGGIFQLGNWSEL
NNIQDHNTIWEGCCRLEPTLKNARIIGERTGFRPVRPQIRLEREQLRTGP
SNTEVIHNYGHGGYGLTIHWGCALEAAKLFGRILEEKKLS
Ligand information
Ligand IDIM3
InChIInChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)/b10-6+
InChIKeyVFINRVRRNHRWEQ-UXBLZVDNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)C(=N)Cc1ccc(O)c(O)c1
OpenEye OEToolkits 1.5.0[H]N=C(Cc1ccc(c(c1)O)O)C(=O)O
OpenEye OEToolkits 1.5.0[H]/N=C(\Cc1ccc(c(c1)O)O)/C(=O)O
ACDLabs 10.04O=C(O)C(=[N@H])Cc1cc(O)c(O)cc1
FormulaC9 H9 N O4
Name(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID;
IMINO-DOPA
ChEMBL
DrugBankDB07979
ZINC
PDB chain2e82 Chain C Residue 2352 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2e82 Structural basis of d-DOPA oxidation by d-amino acid oxidase: Alternative pathway for dopamine biosynthesis.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H2217 Y2224 Y2228 R2283 G2313
Binding residue
(residue number reindexed from 1)		H217 Y224 Y228 R283 G313
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G2313 T2317
Catalytic site (residue number reindexed from 1) G313 T317
Enzyme Commision number 1.4.3.3: D-amino-acid oxidase.
Gene Ontology
Molecular Function
GO:0003884 D-amino-acid oxidase activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
GO:0071949 FAD binding
Biological Process
GO:0006562 proline catabolic process
GO:0007586 digestion
GO:0019478 D-amino acid catabolic process
GO:0036088 D-serine catabolic process
GO:0042416 dopamine biosynthetic process
GO:0046416 D-amino acid metabolic process
GO:0055130 D-alanine catabolic process
GO:0070178 D-serine metabolic process
GO:0070945 neutrophil-mediated killing of gram-negative bacterium
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0005741 mitochondrial outer membrane
GO:0005777 peroxisome
GO:0005782 peroxisomal matrix
GO:0005829 cytosol
GO:0042995 cell projection
GO:0045202 synapse
GO:0048786 presynaptic active zone

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2e82, PDBe:2e82, PDBj:2e82
PDBsum2e82
PubMed17303072
UniProtP14920|OXDA_HUMAN D-amino-acid oxidase (Gene Name=DAO)

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