Structure of PDB 3ta5 Chain A Binding Site BS01

Receptor Information
>3ta5 Chain A (length=118) Species: 498846 (Candidatus Korarchaeum cryptofilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMPRFVVQEHHARRLHWDLRLEMDNVLKSWALPKGVPEKRGVKRLAIETE
DHDLSYIDFEGRIPEGMYGAGEVKIWDSGEYELLERTENKIKFLAKGRKM
NGEYVLIKTKVGWLLMKA
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain3ta5 Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ta5 Structural insights to the metal specificity of an archaeal member of the LigD 3'-phosphoesterase DNA repair enzyme family.
Resolution1.52 Å
Binding residue
(original residue number in PDB)		H9 H15 D17
Binding residue
(residue number reindexed from 1)		H10 H16 D18
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016874 ligase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3ta5, PDBe:3ta5, PDBj:3ta5
PDBsum3ta5
PubMed21965539
UniProtB1L4V6

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