Structure of PDB 6eb3 Chain C Binding Site BS01

Receptor Information
>6eb3 Chain C (length=262) Species: 256318 (metagenome) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLYAQVNGINLHYEIEGQGQPLLLIMGLGAPAAAWDPIFVQTLTKTHQVI
IYDNRGTGLSDKPDMPYSIAMFASDAVGLLDALNIPRAHVFGVSMGGMIA
QELAIHYPQRVASLILGCTTPGGKHAVPAPPESLKALTPEEAIREGWKLS
FSEEFIHTHKAELEAHIPRLLAQLTPRFAYERHFQATMTLRVFKQLKEIQ
APTLVATGRDDMLIPAVNSEILAREIPGAELAIFESAGHGFVTSAREPFL
KVLKEFLARQSV
Ligand information
Ligand IDABU
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCCC(O)=O
ACDLabs 12.01O=C(O)CCCN
OpenEye OEToolkits 1.7.0C(CC(=O)O)CN
FormulaC4 H9 N O2
NameGAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID
ChEMBLCHEMBL96
DrugBankDB02530
ZINCZINC000001532620
PDB chain6eb3 Chain C Residue 301 [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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PDB6eb3 Functional and Structural characterisation of an Esterase from Amazonian Dark Soil
Resolution2.35 Å
Binding residue
(original residue number in PDB)		L28 S94 M95
Binding residue
(residue number reindexed from 1)		L28 S94 M95
Annotation score4
External links