Structure of PDB 3ck2 Chain A Binding Site BS01

Receptor Information
>3ck2 Chain A (length=174) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMAKQTIIVMSDSHGDSLIVEEVRDRYVGKVDAVFHNGDSELRPDSPLWE
GIRVVKGNMDFYAGYPERLVTELGSTKIIQTHGHLFDINFNFQKLDYWAQ
EEEAAICLYGHLHVPSAWLEGKILFLNPGSISQPRGTIRECLYARVEIDD
SYFKVDFLTRDHEVYPGLSKEFSR
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 chain3ck2 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ck2 Crystal structure of conserved uncharacterized protein (predicted phosphoesterase COG0622) from Streptococcus pneumoniae TIGR4.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D11 H13 D38 H112
Binding residue
(residue number reindexed from 1)		D12 H14 D39 H113
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.4.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3ck2, PDBe:3ck2, PDBj:3ck2
PDBsum3ck2
PubMed
UniProtA0A0H2URP5

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