Structure of PDB 4hgp Chain A Binding Site BS02

Receptor Information

>4hgp Chain A (length=179) Species: 71421 (Haemophilus influenzae Rd KW20)

MQQKLENIKFVITDVDGVLTDGQLHYDANGEAIKSFHVRDGLGIKMLMDA
DIQVAVLSGRDSPILRRRIADLGIKLFFLGKLEKETACFDLMKQAGVTAE
QTAYIGDDSVDLPAFAACGTSFAVADAPIYVKNAVDHVLSTHGGKGAFRE
MSDMILQAQGKSSVFDTAQGFLKSVKSMG

Ligand information

• Ligand ID: VN4
• InChI: InChI=1S/3O.V/q;;-1;
• InChIKey: ALTWGIIQPLQAAM-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [O-][V](=O)=O
• Formula: O3 V
• Name: oxido(dioxo)vanadium
• PDB chain: 4hgp Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hgp Structural Basis for the Divergence of Substrate Specificity and Biological Function within HAD Phosphatases in Lipopolysaccharide and Sialic Acid Biosynthesis.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D14 V15 D16 S58 G59 K84
• Binding residue (residue number reindexed from 1): D14 V15 D16 S58 G59 K84
• 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:4hgp, PDBe:4hgp, PDBj:4hgp
• PDBsum: 4hgp
• PubMed: 23848398
• UniProt: P45314|KDSC_HAEIN 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase KdsC (Gene Name=HI_1679)