› 1j4i

X-ray diffraction
1.8Å resolution

crystal structure analysis of the FKBP12 complexed with 000308 small molecule

Released:
DOI: 10.2210/pdb1j4i/pdb
PDB entry 1j4i coloured by chain, front view.
PDB entry 1j4i coloured by chain, side view.
PDB entry 1j4i coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and structure-based study of new potential FKBP12 inhibitors.
Sun F, Li P, Ding Y, Wang L, Bartlam M, Shu C, Shen B, Jiang H, Li S, Rao Z
Biophys J 85 3194-201 (2003)
PMID: 14581219

Function and Biology Details

Reaction catalysed: 
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158812 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidyl-prolyl cis-trans isomerase FKBP1A Chain: A
Molecule details ›
Chain: A
Length: 107 amino acids
Theoretical weight: 11.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P62942 (Residues: 2-108; Coverage: 99%)
Gene names: FKBP1, FKBP12, FKBP1A
Sequence domains: FKBP-type peptidyl-prolyl cis-trans isomerase
Structure domains: Chitinase A; domain 3

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P21
Unit cell:
a: 41.2Å b: 29.56Å c: 41.47Å
α: 90° β: 114.03° γ: 90°
R-values:
R R work R free
0.185 0.185 0.209
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Emerging tools for real-time label-free detection of interactions on functional protein microarrays.
Ramachandran et al. (2005)
1 more

4 mentions without citation

Design and structure-based study of new potential FKBP12 inhibitors.
Sun et al. (2003)
3 more