Structure of PDB 5aig Chain A Binding Site BS01

Receptor Information
>5aig Chain A (length=124) Species: 32644 (unidentified) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTPIETVTAFIAHWNSGDMEAMYDLCAEDVVWHNIPMEPIAGKPAMRAAV
EGFMANVSQCDWQVHAIAANGATVLTERTDGFTFTNGRRATIRVMGTFEC
DAERRIIAWRDYFDMLEFQREFAG
Ligand information
Ligand IDVPR
InChIInChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyOMOMUFTZPTXCHP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(N)C(CCC)CCC
OpenEye OEToolkits 1.5.0CCCC(CCC)C(=O)N
CACTVS 3.341CCCC(CCC)C(N)=O
FormulaC8 H17 N O
Name2-PROPYLPENTANAMIDE;
VALPROMIDE
ChEMBLCHEMBL93836
DrugBankDB04165
ZINCZINC000000002238
PDB chain5aig Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5aig Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries
Resolution1.16 Å
Binding residue
(original residue number in PDB)		W62 D80 F82 F113 F118
Binding residue
(residue number reindexed from 1)		W62 D80 F82 F113 F118
Annotation score1
External links