Structure of PDB 8hjy Chain A Binding Site BS01

Receptor Information
>8hjy Chain A (length=118) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPSGMILKRAYDVTPQKISTDKVRGVRKRVLIGLKDAPNFVMRLFTVEPG
GLIDRASHPWEEEIFVLKGKLTVLKEQGEETVEEGFYIFVEPNEIHGFRN
DTDSEVEWLCLIPKEGGE
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain8hjy Chain A Residue 201 [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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PDB8hjy An artificial metallolyase with pliable 2-His-1-carboxylate facial triad for stereoselective Michael addition.
Resolution1.18 Å
Binding residue
(original residue number in PDB)		H54 E58 H92
Binding residue
(residue number reindexed from 1)		H58 E62 H96
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8hjy, PDBe:8hjy, PDBj:8hjy
PDBsum8hjy
PubMed37035687
UniProtQ9X1H0

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