Structure of PDB 3n1u Chain A Binding Site BS01

Receptor Information
>3n1u Chain A (length=182) Species: 272624 (Legionella pneumophila subsp. pneumophila str. Philadelphia 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLNTEIEMNELLEKAKKIKCLICDVDGVLSDGLLHIDNHGNELKSFHVQD
GMGLKLLMAAGIQVAIITTAQNAVVDHRMEQLGITHYYKGQVDKRSAYQH
LKKTLGLNDDEFAYIGDDLPDLPLIQQVGLGVAVSNAVPQVLEFADWRTE
RTGGRGAVRELCDLILNAQNKAELAITGYLKQ
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3n1u Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3n1u Structure of putative HAD superfamily (subfamily III A) hydrolase from Legionella pneumophila
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D25 D27 D118
Binding residue
(residue number reindexed from 1)		D24 D26 D117
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.45: 3-deoxy-manno-octulosonate-8-phosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0019143 3-deoxy-manno-octulosonate-8-phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0009103 lipopolysaccharide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3n1u, PDBe:3n1u, PDBj:3n1u
PDBsum3n1u
PubMed
UniProtQ5ZX93

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