Structure of PDB 4um7 Chain A Binding Site BS01

Receptor Information
>4um7 Chain A (length=175) Species: 857574 (Moraxella catarrhalis BC8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHMNEIYQKAKHIKLFAMDVDGILSDGQIIYNSEGTETKAFYVQDGLGLQ
ALKQSGIILAIITGRSSAMVDRRAKELGISHIIQGQDDKLTALVGLTKKL
GIELSHCAYIGDDLPDLKAVREAGFGISVPNGCEQTRAVSDYITTKTGGN
GAVREVCELILKAQNNFDAFIATFQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4um7 Chain A Residue 175 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4um7 Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Resolution1.64 Å
Binding residue
(original residue number in PDB)		D17 D19 D110
Binding residue
(residue number reindexed from 1)		D19 D21 D112
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:4um7, PDBe:4um7, PDBj:4um7
PDBsum4um7
PubMed25664734
UniProtA0A0J9X241

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