Structure of PDB 8hlf Chain A Binding Site BS02

Receptor Information
>8hlf Chain A (length=126) Species: 335992 (Candidatus Pelagibacter ubique HTCC1062) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIFVKNLASVLSQEWSSTEKYPGVRWKFLIDADFDGSSGLSLGFAEIAPG
GDLTLHYHSPAEIAVVTNGKGILNKSGKLETIKKGDVVYIAGNAEHALKN
NGKETLEFYWIFPTDRFSEVEYFPAK
Ligand information
Ligand IDLNI
InChIInChI=1S/C5H10O3S/c1-9(2,8)4-3-5(6)7/h3-4H2,1-2H3/p+1
InChIKeyLEKODCUQHSSNES-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[S+](=O)(C)CCC(=O)O
CACTVS 3.385C[S+](C)(=O)CCC(O)=O
FormulaC5 H11 O3 S
Name3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid;
Dimethylsulfoxonium propionate
ChEMBL
DrugBank
ZINC
PDB chain8hlf Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hlf Structure of DddK-DMSOP complex at 1.62 angstroms resolution
Resolution1.62 Å
Binding residue
(original residue number in PDB)		W26 L53 E62 W110 F117 Y122
Binding residue
(residue number reindexed from 1)		W26 L53 E62 W110 F117 Y122
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8hlf, PDBe:8hlf, PDBj:8hlf
PDBsum8hlf
PubMed38030907
UniProtQ4FNM4

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