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MolNFT v1 · #73562 · protein

FK1 domain mutant A19T of FKBP51, crystal form III

3O5O · Peptidyl-prolyl cis-trans isomerase FKBP5: “FK1 domain mutant A19T of FKBP51, crystal form III”. X-ray diffraction, 1 ligand (SCN), 1 pocket (best druggability 0.38). MolNFT v1 #73562 on GenesisL1: 3D structure, binding sites and…

PDB
3O5O
Type
protein
Length
128 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptidyl-prolyl cis-trans isomerase FKBP5
EC
5.2.1.8
UniProt
Q13451
Ligands
SCN
Pockets
1 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptidyl-prolyl cis-trans isomerase FKBP5 (EC 5.2.1.8)protein12816% helix, 35% strandQ13451

Ligands and binding sites

  • SCN · Thiocyanate ion · ion · 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
1820.380.7719empty

Compared structures

  • 3O5O · Fk1 domain mutant A19T of FKBP51, crystal form III · the same entry in another collection · chain A against A, TM-score 1.00
  • Q13451 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP5 (Q13451) · a predicted model of the same protein · chain A against A, TM-score 0.98

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