Structure of PDB 3p4h Chain A Binding Site BS02

Receptor Information
>3p4h Chain A (length=118) Species: 374847 (Candidatus Korarchaeum cryptofilum OPF8) [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 chain3p4h Chain A Residue 119 [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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PDB3p4h Structures and activities of archaeal members of the LigD 3'-phosphoesterase DNA repair enzyme superfamily.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		H9 R19 H51
Binding residue
(residue number reindexed from 1)		H10 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:3p4h, PDBe:3p4h, PDBj:3p4h
PDBsum3p4h
PubMed21208981
UniProtB1L4V6

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