MolNFT v1 · #90339 · protein
Crystal structure of dipeptidase pepe from mycobacterium ulcerans
4EGE: “Crystal structure of dipeptidase pepe from mycobacterium ulcerans”. X-ray diffraction, 2 ligands (ZN, UNX), 2 pockets (best druggability 0.46). MolNFT v1 #90339 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4EGE
- Type
- protein
- Length
- 371 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dipeptidase pepe
- UniProt
- A0PQS3
- Ligands
- ZN, UNX
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dipeptidase pepe | protein | 371 | 37% helix, 25% strand | A0PQS3 |
Ligands and binding sites
- ZN · Zinc ion · metal · 9 copies · chains A
- UNX · Unknown atom or ion · ion · 7 copies · chains A
- EDO · 1,2-ethanediol · additive · 8 copies · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.46 | 0.82 | 18 | EDO, ZN |
| 2 | 94 | 0.37 | 0.76 | 17 | ZN, UNX |
Compared structures
- 4EGE · Crystal Structure of Dipeptidase PepE from Mycobacterium ulcerans · the same entry in another collection · chain A against A, TM-score 1.00
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 A0PQS3
- Elsewhere: RCSB PDB 4EGE · PDBe 4EGE · UniProt A0PQS3
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