› 2v4c

X-ray diffraction
1.7Å resolution

Structure of sialic acid binding protein (SiaP) in the presence of KDN

Released:
DOI: 10.2210/pdb2v4c/pdb
PDB entry 2v4c coloured by chain, front view.
PDB entry 2v4c coloured by chain, side view.
PDB entry 2v4c coloured by chain, top view.
Source organism: Haemophilus influenzae
Primary publication:
Water Networks Can Determine the Affinity of Ligand Binding to Proteins.
Darby JF, Hopkins AP, Shimizu S, Roberts SM, Brannigan JA, Turkenburg JP, Thomas GH, Hubbard RE, Fischer M
J Am Chem Soc 141 15818-15826 (2019)
PMID: 31518131

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155185 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sialic acid-binding periplasmic protein SiaP Chain: A
Molecule details ›
Chain: A
Length: 309 amino acids
Theoretical weight: 34.62 KDa
Source organism: Haemophilus influenzae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P44542 (Residues: 24-329; Coverage: 100%)
Gene names: HI_0146, siaP
Sequence domains: Bacterial extracellular solute-binding protein, family 7
Structure domains: Bacterial extracellular solute-binding protein, family 7

Ligands and Environments

1 bound ligand:
Ligand KDN 1 x KDN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 47.399Å b: 74.502Å c: 86.402Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.146 0.143 0.194
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Applications of water molecules for analysis of macromolecule properties.
Mitusińska et al. (2020)
4 more

1 mention without citation

Recent PELE Developments and Applications in Drug Discovery Campaigns.
Puch-Giner et al. (2022)