› 3ib1

X-ray diffraction
2.2Å resolution

Structural basis of the prevention of NSAID-induced damage of the gastrointestinal tract by C-terminal half (C-lobe) of bovine colostrum protein lactoferrin: Binding and structural studies of C-lobe complex with indomethacin

Released:
DOI: 10.2210/pdb3ib1/pdb
PDB 3ib1 coloured by chain and viewed from the front.
PDB 3ib1 coloured by chain and viewed from the side.
PDB 3ib1 coloured by chain and viewed from the top.
Source organism: Bos taurus
Primary publication:
The structural basis for the prevention of nonsteroidal antiinflammatory drug-induced gastrointestinal tract damage by the C-lobe of bovine colostrum lactoferrin.
Mir R, Singh N, Vikram G, Kumar RP, Sinha M, Bhushan A, Kaur P, Srinivasan A, Sharma S, Singh TP
Biophys. J. 97 3178-86 (2009)
PMID: 20006955

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Lactotransferrin Chain: A
Molecule details ›
Chain: A
Length: 345 amino acids
Theoretical weight: 37.66 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P24627 (Residues: 361-705; Coverage: 50%)
Gene name: LTF
Sequence domains: Transferrin
Structure domains: Periplasmic binding protein-like II

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, MAN
Carbohydrate polymer
6 bound ligands:
Ligand ZN 2 x ZN
Ligand FE 1 x FE
Ligand CO3 1 x CO3
Ligand SO4 1 x SO4
Ligand NAG 1 x NAG
Ligand IMN 1 x IMN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P21
Unit cell:
a: 63.839Å b: 50.654Å c: 66.119Å
α: 90° β: 107.56° γ: 90°
R-values:
R R work R free
0.212 0.209 0.244

Quick links

Citations

5 review citations

The Halogen Bond.
Cavallo et al. (2016)
4 more

1 mention without citation

Detect, correct, retract: How to manage incorrect structural models.
Wlodawer et al. (2018)