Structure of PDB 3ta5 Chain A Binding Site BS02

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 IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3ta5 Chain A Residue 118 [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]
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 D17 R19 H51
Binding residue
(residue number reindexed from 1)		H10 D18 R20 H52
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

[Back to BioLiP]