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MolNFT v1 · #105046 · protein

Crystal structure of the FK506-binding domain of plasmodium falciparum FKBP35 in complex with rapamycin

4QT2 · FK506-binding protein (fkbp)-type peptidyl-propyl isomerase: “Crystal structure of the FK506-binding domain of plasmodium falciparum FKBP35 in complex with rapamycin”. X-ray diffraction, 1 ligand (RAP), 1 pocket (best druggability…

PDB
4QT2
Type
protein
Length
122 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
FK506-binding protein (fkbp)-type peptidyl-propyl isomerase
EC
5.2.1.8
UniProt
Q8I4V8
Ligands
RAP
Pockets
1 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFK506-binding protein (fkbp)-type peptidyl-propyl isomerase (EC 5.2.1.8)protein12211% helix, 39% strandQ8I4V8

Ligands and binding sites

  • RAP · Rapamycin immunosuppressant drug · ligand · chains A
  • IMD · Imidazole · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1610.350.7611empty

Compared structures

  • 4QT2 · Crystal Structure of the FK506-Binding Domain of Plasmodium Falciparum FKBP35 in complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8I4V8 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP35 (Q8I4V8) · a predicted model of the same protein · chain A against A, TM-score 0.96

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