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MolNFT v1 · #15093 · protein

Crystal structure of the tricorn interacting factor F1 complex with pck

1MU0 · Proline iminopeptidase: “Crystal structure of the tricorn interacting factor F1 complex with pck”. X-ray diffraction, 1 ligand (PHK), 2 pockets (best druggability 0.76). MolNFT v1 #15093 on GenesisL1: 3D structure, binding sites and…

PDB
1MU0
Type
protein
Length
293 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proline iminopeptidase
EC
3.4.11.5
UniProt
P96084
Ligands
PHK
Pockets
2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProline iminopeptidase (EC 3.4.11.5)protein29346% helix, 18% strandP96084

Ligands and binding sites

  • PHK · (2R,3S)-3-amino-1-chloro-4-phenyl-butan-2-ol · ligand · chains A

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

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1790.760.9818PHK
21290.410.7519empty

Modifications

Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).

Compared structures

  • 1MU0 · Crystal Structure of the Tricorn Interacting Factor F1 Complex with PCK · the same entry in another collection · chain A against A, TM-score 1.00
  • P96084 · AlphaFold monomer V2.0 prediction for proline iminopeptidase (P96084) · a predicted model of the same protein · chain A against A, TM-score 0.99

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