MolNFT v1 · #27706 · protein
Crystal structure of active site F1-mutant E245Q soaked with peptide phe-leu
1XRQ · Proline iminopeptidase: “Crystal structure of active site F1-mutant E245Q soaked with peptide phe-leu”. X-ray diffraction, 1 ligand (LEU), 3 pockets (best druggability 0.71). MolNFT v1 #27706 on GenesisL1: 3D structure, binding…
- PDB
- 1XRQ
- Type
- protein
- Length
- 290 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
- LEU
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proline iminopeptidase (EC 3.4.11.5) | protein | 290 | 49% helix, 18% strand | P96084 |
Ligands and binding sites
- LEU · Leucine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 51 | 0.71 | 0.98 | 19 | LEU |
| 2 | 171 | 0.55 | 0.79 | 29 | empty |
| 3 | 51 | 0.27 | 0.74 | 14 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1XRQ · Crystal structure of active site F1-mutant E245Q soaked with peptide Phe-Leu · 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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P96084
- Elsewhere: RCSB PDB 1XRQ · PDBe 1XRQ · UniProt P96084
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