Structure of PDB 2oiz Chain A Binding Site BS01

Receptor Information
>2oiz 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]
EVLTGGHSVSAPQENRIYVMDSVFMHLTESRVHVYDYTNGKFLGMVPTAF
NGHVQVSNDGKKIYTMTTYHERITRGKRSDVVEVWDADKLTFEKEISLPP
KRVQGLNYDGLFRQTTDGKFIVLQNASPATSIGIVDVAKGDYVEDVTAAA
GCWSVIPQPNRPRSFMTICGDGGLLTINLGEDGKVASQSRSKQMFSVKDD
PIFIAPALDKDKAHFVSYYGNVYSADFSGDEVKVDGPWSLLNDEDKAKNW
VPGGYNLVGLHRASGRMYVFMHPDGKEGTHKFPAAEIWVMDTKTKQRVAR
IPGRDALSMTIDQQRNLMLTLDGGNVNVYDISQPEPKLLRTIEGAAEASL
QVQFHPVGGT
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 chain2oiz Chain H Residue 1701 [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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PDB2oiz New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
Resolution1.05 Å
Binding residue
(original residue number in PDB)		F97 L100 G178
Binding residue
(residue number reindexed from 1)		F24 L27 G105
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) M98
Catalytic site (residue number reindexed from 1) M25
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:2oiz, PDBe:2oiz, PDBj:2oiz
PDBsum2oiz
PubMed17475620
UniProtP84888|AAUB_ALCFA Aralkylamine dehydrogenase heavy chain (Gene Name=aauB)

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