Structure of PDB 3p2u Chain B Binding Site BS02

Receptor Information
>3p2u Chain B (length=250) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLTLTLTGTGGAQGVPAWGCECAACARARRSPQYRRQPCSGVVKFNDAIT
LIDAGLHDLADRWSPGSFQQFLLTHYHMDHVQGLFPLRWGVGDPIPVYGP
PDEQGCDDLFKHPGLLDFSHTVEPFVVFDLQGLQVTPLPLNHSKLTFGYL
LETAHSRVAWLSDTAGLPEKTLKFLRNNQPQVMVMDCSHPPRADAPRNHC
DLNTVLALNQVIRSPRVILTHISHQFDAWLMENALPSGFEVGFDGMEIGV
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3p2u Chain B Residue 261 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p2u Crystal structure of PhnP in complex with orthovanadate
Resolution1.48 Å
Binding residue
(original residue number in PDB)		H76 H78 H143 D164
Binding residue
(residue number reindexed from 1)		H75 H77 H142 D163
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.55: phosphoribosyl 1,2-cyclic phosphate phosphodiesterase.
Gene Ontology
Molecular Function
GO:0008081 phosphoric diester hydrolase activity
GO:0016787 hydrolase activity
GO:0030145 manganese ion binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0103043 phosphoribosyl 1,2-cyclic phosphate phosphodiesterase activity
Biological Process
GO:0019700 organic phosphonate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3p2u, PDBe:3p2u, PDBj:3p2u
PDBsum3p2u
PubMed
UniProtP16692|PHNP_ECOLI Phosphoribosyl 1,2-cyclic phosphate phosphodiesterase (Gene Name=phnP)

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