Structure of PDB 7bfr Chain A Binding Site BS01

Receptor Information
>7bfr Chain A (length=260) Species: 1331910 (Thermogutta terrifontis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLRYPPEMPGAEVKVYKKVDNVDLKLYIYKPADWKPADRRSAIVFFFGGG
WQSGSPAQFRPQCEYFAGRGMVAMAADYRVGSRHNVKVADCVADAKSAIR
WVRQHAAELGVDPQKIVASGGSAGGHLAACTVMVPDLEAPEEDHTISSQA
NAAILFNPVLILSRERLGTEPKAVSPYHHIRAGLPPMIIFHGTADNTVPF
ETIRLFAEAMKKAGNRCELVPFEGAAHGFFNFGRGDNLAYQKTLELADEF
LVEIGFLAPK
Ligand information
Ligand IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain7bfr Chain A 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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PDB7bfr A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Resolution1.99 Å
Binding residue
(original residue number in PDB)		Q62 X126 H248
Binding residue
(residue number reindexed from 1)		Q58 X122 H227
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.1: carboxylesterase.
Gene Ontology
Molecular Function
GO:0016298 lipase activity

View graph for
Molecular Function
External links
PDB RCSB:7bfr, PDBe:7bfr, PDBj:7bfr
PDBsum7bfr
PubMed33513869
UniProtA0A286RIX1

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