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MolNFT v1 · #115177 · protein

Human cyclophilin D complexed with inhibitor.

5CBW · Peptidyl-prolyl cis-trans isomerase F, mitochondrial: “Human cyclophilin D complexed with inhibitor.”. X-ray diffraction, 2 ligands (4ZO, K), 1 pocket (best druggability 0.28). MolNFT v1 #115177 on GenesisL1: 3D structure, binding…

PDB
5CBW
Type
protein
Length
164 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
EC
5.2.1.8
UniProt
P30405
Ligands
4ZO, K
Pockets
1 · best druggability 0.28

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptidyl-prolyl cis-trans isomerase F, mitochondrial (EC 5.2.1.8)protein16415% helix, 32% strandP30405

Ligands and binding sites

  • 4ZO · Ethyl N-{[4-(acetylamino)benzyl]carbamoyl}glycinate · ligand · chains A
  • K · Potassium ion · metal · 2 copies · chains A
  • FMT · Formic acid · additive · chains A
  • PG4 · Tetraethylene glycol · additive · chains A
  • PGE · Triethylene glycol · 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
1530.280.75164ZO

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