Structure of PDB 8ekg Chain E Binding Site BS01

Receptor Information
>8ekg Chain E (length=558) Species: 1547922 (Piscinibacter sakaiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASRAACEALKDGNGDMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVS
GAIAKRTGIDGYPYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIG
GGQIASALSRNFAVIATDGGHDNAVNDNPDALGTVAFGLDPQARLDYGYN
SYDQVTQAGKAAVARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGI
VAGAPGFQLPKAGISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLL
SQAILGTCDALDGLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKT
ADCLSPVQVTAIKRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWR
SWWLGSFNSSANNAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDF
DIDPLKIWATSGQFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAF
SALDTADWYERLGAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLV
AWVERGEAPDQISAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEA
NFACAAPP
Ligand information
Ligand IDEDO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCO
OpenEye OEToolkits 1.5.0C(CO)O
FormulaC2 H6 O2
Name1,2-ETHANEDIOL;
ETHYLENE GLYCOL
ChEMBLCHEMBL457299
DrugBank
ZINCZINC000005224354
PDB chain8ekg Chain C Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8ekg MHETase protein engineering using a novel colorimetric assay
Resolution2.65 Å
Binding residue
(original residue number in PDB)		A81 A86
Binding residue
(residue number reindexed from 1)		A36 A41
Annotation score5
Enzymatic activity
Enzyme Commision number 3.1.1.102: mono(ethylene terephthalate) hydrolase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0052689 carboxylic ester hydrolase activity
Biological Process
GO:0042178 xenobiotic catabolic process
Cellular Component
GO:0009279 cell outer membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ekg, PDBe:8ekg, PDBj:8ekg
PDBsum8ekg
PubMed38885634
UniProtA0A0K8P8E7|MHETH_PISS1 Mono(2-hydroxyethyl) terephthalate hydrolase (Gene Name=ISF6_0224)

[Back to BioLiP]