› 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 entry 3ib1 coloured by chain, front view.
PDB entry 3ib1 coloured by chain, side view.
PDB entry 3ib1 coloured by chain, top view.
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 domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150260 (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

8 review citations

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

2 mentions without citation

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