MolNFT v1 · #108363 · protein
Crystal structure of ESPG5 in complex with PE25 and PPE41 from the esx-5 type VII secretion system of M. tuberculosis
4W4L · Pe family protein PE25: “Crystal structure of ESPG5 in complex with PE25 and PPE41 from the esx-5 type VII secretion system of M.…”. X-ray diffraction, 4 pockets (best druggability 0.55). MolNFT v1 #108363 on GenesisL1: 3D…
- PDB
- 4W4L
- Type
- protein
- Length
- 555 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pe family protein PE25; Ppe family protein PPE41; ESPG5
- UniProt
- H8ETC7, H8ETC6, H8F3E2
- Pockets
- 4 · best druggability 0.55
Structure
x-ray diffraction · 3 distinct chains · 55% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pe family protein PE25 | protein | 84 | 87% helix, 0% strand | H8ETC7 |
| B | Ppe family protein PPE41 | protein | 174 | 80% helix, 0% strand | H8ETC6 |
| C | ESPG5 | protein | 297 | 32% helix, 27% strand | H8F3E2 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 187 | 0.55 | 0.80 | 22 | empty |
| 2 | 85 | 0.44 | 0.80 | 14 | empty |
| 3 | 82 | 0.44 | 0.80 | 19 | empty |
| 4 | 50 | 0.30 | 0.76 | 17 | empty |
Interfaces
2 interfaces between chains.
- A–B · 2128 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 1683 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4W4L · Crystal structure of EspG5 in complex with PE25 and PPE41 from the ESX-5 type VII… · 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
- Every structure of UniProt H8F3E2
- Elsewhere: RCSB PDB 4W4L · PDBe 4W4L · UniProt H8ETC7 · UniProt H8ETC6 · UniProt H8F3E2
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