MolNFT v1 · #108362 · protein
Crystal structure of a PE25-PPE41 heterodimer from a type VII secretion system of M. tuberculosis
4W4K · Pe family protein PE25: “Crystal structure of a PE25-PPE41 heterodimer from a type VII secretion system of M. tuberculosis”. X-ray diffraction, 3 pockets (best druggability 0.53). MolNFT v1 #108362 on GenesisL1: 3D structure…
- PDB
- 4W4K
- Type
- protein
- Length
- 505 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pe family protein PE25; Ppe family protein PPE41
- UniProt
- H8ETC7, H8ETC6
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 3 distinct chains · 82% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pe family protein PE25 | protein | 82 | 84% helix, 0% strand | H8ETC7 |
| B, D | Ppe family protein PPE41 | protein | 173 | 79% helix, 0% strand | H8ETC6 |
| C | Pe family protein PE25 | protein | 77 | 86% helix, 0% strand | H8ETC7 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 227 | 0.53 | 0.77 | 23 | empty |
| 2 | 121 | 0.37 | 0.73 | 18 | empty |
| 3 | 51 | 0.28 | 0.75 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2113 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 2033 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 198 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4W4K · Crystal structure of a PE25-PPE41 heterodimer from a type VII secretion system of M.… · 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 H8ETC7
- Every structure of UniProt H8ETC6
- Elsewhere: RCSB PDB 4W4K · PDBe 4W4K · UniProt H8ETC7 · UniProt H8ETC6
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