Structure of PDB 3qfn Chain B Binding Site BS01

Receptor Information
>3qfn Chain B (length=249) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTKIALLSDIHGNTTALEAVLADARQLGVDEYWLLGDILMPGTGRRRILD
LLDQLPITARVLGNWEDSLWHGVRKELDSTRPSQRYLLRQCQYVLEEISL
EEIEVLHNQPLQIHRQFGDLTVGISHHLPDKNWGRELIHTGKQEEFDRLV
THPPCDIAVYGHIHQQLLRYGTGGQLIVNPGSIGQPFFLDAQLRKDLRAQ
YMILEFDDKGLVDMDFRRVDYDVAAELQLAKDLRLPYFEVYYESLVNGI
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 chain3qfn Chain B Residue 264 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qfn Structural and enzymatic characterization of a Streptococcal ATP/diadenosine polyphosphate and phosphodiester hydrolase Spr1479/SapH
Resolution2.31 Å
Binding residue
(original residue number in PDB)		D39 N66 H128 H164
Binding residue
(residue number reindexed from 1)		D37 N64 H126 H162
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016791 phosphatase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:3qfn, PDBe:3qfn, PDBj:3qfn
PDBsum3qfn
PubMed
UniProtQ8DNX4

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