Structure of PDB 8hle Chain B Binding Site BS01

Receptor Information
>8hle Chain B (length=380) Species: 1217651 (Acinetobacter bereziniae NIPH 3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQFQCQDDVKPTSYTTEEQKLVDQFWNESLIYLDQYLKALETPTGQCKDS
AQATIQTYNSETGKMQTQCIMKYRDVELVAKHLKAVLAEPDKAKACFDPQ
KNYKAFPLYTPSAHVQNLSATSKWINRPLLTDYYKKIGGEIGAAGLELNE
NFLEITSRTDTTLHWTKDVSIKGLPTLWSSVGWIPFYAENPNAGSDRFRG
GYLYAEVMGPWGNLRIKEIDGEKVGAEIGMTAQLFNTSAPYHYHHPQEIY
MTLTKPQCIDQNKHMVMHWDNNQFKQKRSDNGWTVNIDGSKGKWKKWFSN
QDPEQNWLTYFERNAIHAFHTLEGCNQTIKNSGLVTVWARTTAQDNNQTT
QLCRPMTGAKDIKTMKPEDKAICDLDDWKP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8hle Chain B Residue 501 [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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PDB8hle Structure of DddY-DMSOP complex at 1.91 Angstroms resolution.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		H265 E269 H338
Binding residue
(residue number reindexed from 1)		H244 E248 H317
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0047869 dimethylpropiothetin dethiomethylase activity

View graph for
Molecular Function
External links
PDB RCSB:8hle, PDBe:8hle, PDBj:8hle
PDBsum8hle
PubMed38030907
UniProtN8X9V6

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