Structure of PDB 8p7e Chain B Binding Site BS02

Receptor Information
>8p7e Chain B (length=309) Species: 28214 (Sphingomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THYTRPDVAAFLAFLNAQEGPKMEEMPPAGAREMMRVMGQLADVPRGEIA
KVEDRMIPGPDGDIPIRLYDNRPDREAGPVMVFYHGGGWVIGDLETHDPY
CAEAARILDMPVIAIDYRLAPEHPFPAAPIDCEAATRWVADNIACTGLVL
SGDSAGGNLTIVTALALRDEPAAKPVIAIHPIYPAVTTHNDWQSYRDFGE
GHLLTEGSMTWFGNHYAADPADRRAAPIDFPADGLPPTLLITASLDPLRD
QGRAYAAKLIEAGVPTTYREAKGTIHGYICLAQGIPSAKDDIRGALTVLK
AIVAEATGA
Ligand information
Ligand IDABN
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKeyWGQKYBSKWIADBV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CN
ACDLabs 10.04
CACTVS 3.341		NCc1ccccc1
FormulaC7 H9 N
NameBENZYLAMINE
ChEMBLCHEMBL522
DrugBankDB02464
ZINCZINC000006096244
PDB chain8p7e Chain B Residue 403 [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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PDB8p7e Amide formation of (hetero)aromatic esters and primary amines in buffer catalyzed by serine hydrolases: An Asp next to Ser of the catalytic triad of serine hydrolases is crucial for activity
Resolution1.5 Å
Binding residue
(original residue number in PDB)		W94 T192 A223
Binding residue
(residue number reindexed from 1)		W89 T187 A218
Annotation score1
External links