Structure of PDB 2ojy Chain A Binding Site BS01

Receptor Information
>2ojy Chain A (length=360) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REVLTGGHSVSAPQENRIYVMDSVFMHLTESRVHVYDYTNGKFLGMVPTA
FNGHVQVSNDGKKIYTMTTYHERITRGKRSDVVEVWDADKLTFEKEISLP
PKRVQGLNYDGLFRQTTDGKFIVLQNASPATSIGIVDVAKGDYVEDVTAA
AGCWSVIPQPNRPRSFMTICGDGGLLTINLGEDGKVASQSRSKQMFSVKD
DPIFIAPALDKDKAHFVSYYGNVYSADFSGDEVKVDGPWSLLNDEDKAKN
WVPGGYNLVGLHRASGRMYVFMHPDGKEGTHKFPAAEIWVMDTKTKQRVA
RIPGRDALSMTIDQQRNLMLTLDGGNVNVYDISQPEPKLLRTIEGAAEAS
LQVQFHPVGG
Ligand information
Ligand IDTSR
InChIInChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
InChIKeyZOAMBXDOGPRZLP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(=O)N
CACTVS 3.341NC(=O)Cc1c[nH]c2ccccc12
ACDLabs 10.04O=C(N)Cc2c1ccccc1nc2
FormulaC10 H10 N2 O
Name2-(1H-INDOL-3-YL)ACETAMIDE
ChEMBL
DrugBankDB08652
ZINCZINC000000409269
PDB chain2ojy Chain H Residue 291 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2ojy New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F97 L100
Binding residue
(residue number reindexed from 1)		F25 L28
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H99
Catalytic site (residue number reindexed from 1) H27
Enzyme Commision number 1.4.9.2: aralkylamine dehydrogenase (azurin).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0030058 aliphatic amine dehydrogenase activity
GO:0030059 aralkylamine dehydrogenase (azurin) activity
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:2ojy, PDBe:2ojy, PDBj:2ojy
PDBsum2ojy
PubMed17475620
UniProtP84888|AAUB_ALCFA Aralkylamine dehydrogenase heavy chain (Gene Name=aauB)

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