Structure of PDB 4umf Chain D Binding Site BS01

Receptor Information

>4umf Chain D (length=173) Species: 857574 (Moraxella catarrhalis BC8)

MNEIYQKAKHIKLFAMDVDGILSDGQIIYNSEGTETKAFYVQDGLGLQAL
KQSGIILAIITGRSSAMVDRRAKELGISHIIQGQDDKLTALVGLTKKLGI
ELSHCAYIGDDLPDLKAVREAGFGISVPNGCEQTRAVSDYITTKTGGNGA
VREVCELILKAQNNFDAFIATFQ

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 4umf Chain D Residue 1174

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4umf 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
• Resolution: 2.28 Å
• Binding residue (original residue number in PDB): D17 V18 D19 T61 G62 K87
• Binding residue (residue number reindexed from 1): D17 V18 D19 T61 G62 K87
• Annotation score: 1

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

External links

• PDB: RCSB:4umf, PDBe:4umf, PDBj:4umf
• PDBsum: 4umf
• PubMed: 25664734
• UniProt: A0A0J9X241