Structure of PDB 5aob Chain A Binding Site BS01

Receptor Information
>5aob Chain A (length=278) Species: 1331910 (Thermogutta terrifontis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLRYPPEMPGAEVKVYKKVDNVDLKLYIYKPADWKPADRRSAIVFFFGGG
WQSGSPAQFRPQCEYFAGRGMVAMAADYRVGSRHNVKVADCVADAKSAIR
WVRQHAAELGVDPQKIVASGGSAGGHLAACTVMVPDLEAPEEDHTISSQA
NAAILFNPVLILSREGLKDHVPRQDWEERLRERLGTEPKAVSPYHHIRAG
LPPMIIFHGTADNTVPFETIRLFAEAMKKAGNRCELVPFEGAAHGFFNFG
RGDNLAYQKTLELADEFLVEIGFLAPKG
Ligand information
Ligand IDBUA
InChIInChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKeyFERIUCNNQQJTOY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCC(=O)O
CACTVS 3.385CCCC(O)=O
FormulaC4 H8 O2
Namebutanoic acid
ChEMBLCHEMBL14227
DrugBankDB03568
ZINCZINC000000895132
PDB chain5aob Chain A Residue 1285 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5aob The Structure of a Novel Thermophilic Esterase from the Planctomycetes Species, Thermogutta Terrifontis Reveals an Open Active Site due to a Minimal 'CAP' Domain.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		G53 G54 S126 A127
Binding residue
(residue number reindexed from 1)		G49 G50 S122 A123
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.1: carboxylesterase.
Gene Ontology
Molecular Function
GO:0016298 lipase activity
GO:0016787 hydrolase activity
GO:0106435 carboxylesterase activity

View graph for
Molecular Function
External links
PDB RCSB:5aob, PDBe:5aob, PDBj:5aob
PDBsum5aob
PubMed26635762
UniProtA0A0X1KHD1

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