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BioLiP

Structure of PDB 4umf Chain B Binding Site BS02

Receptor Information
>4umf Chain B (length=173) Species: 857574 (Moraxella catarrhalis BC8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNEIYQKAKHIKLFAMDVDGILSDGQIIYNSEGTETKAFYVQDGLGLQAL
KQSGIILAIITGRSSAMVDRRAKELGISHIIQGQDDKLTALVGLTKKLGI
ELSHCAYIGDDLPDLKAVREAGFGISVPNGCEQTRAVSDYITTKTGGNGA
VREVCELILKAQNNFDAFIATFQ
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 chain4umf Chain B Residue 1175 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4umf 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
Resolution2.28 Å
Binding residue
(original residue number in PDB)		D17 D19 D110
Binding residue
(residue number reindexed from 1)		D17 D19 D110
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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External links

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