Structure of PDB 2ah0 Chain D Binding Site BS01

Receptor Information
>2ah0 Chain D (length=109) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVNSCDYWRHCAVDGFLCSCCGGTTTTCPPGSTPSPISWIGTCHNPHDGK
DYLISYHDCCGKTACGRCQCNTQTRERPGYEFFLHNDVNWCMANENSTFH
CTTSVLVGL
Ligand information
Ligand IDTSH
InChIInChI=1S/C10H10N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,6-7,11-12H,5H2/b11-6-
InChIKeyDCXUMIPCJIGNQW-WDZFZDKYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N=CCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0[H]N=CCc1c[nH]c2c1cccc2
ACDLabs 10.04[N@H]=CCc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0[H]/N=C\Cc1c[nH]c2c1cccc2
FormulaC10 H10 N2
Name2-(1H-INDOL-3-YL)ETHANIMINE
ChEMBL
DrugBank
ZINC
PDB chain2ah0 Chain D Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ah0 Atomic description of an enzyme reaction dominated by proton tunneling
Resolution1.45 Å
Binding residue
(original residue number in PDB)		D84 X109 D128 V158 N159 F169
Binding residue
(residue number reindexed from 1)		D14 X39 D58 V88 N89 F99
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W109 A134 F153
Catalytic site (residue number reindexed from 1) W39 A64 F83
Enzyme Commision number 1.4.9.2: aralkylamine dehydrogenase (azurin).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016638 oxidoreductase activity, acting on the CH-NH2 group of donors
GO:0030059 aralkylamine dehydrogenase (azurin) activity
Biological Process
GO:0009308 amine metabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ah0, PDBe:2ah0, PDBj:2ah0
PDBsum2ah0
PubMed16614214
UniProtP84887|AAUA_ALCFA Aralkylamine dehydrogenase light chain (Gene Name=aauA)

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