MolNFT v1 · #167338 · protein
Structure of PE5-PPE4-ESPG3 complex from the type VII (esx-3) secretion system, space group I422
6VHR · Pe family immunomodulator PE5: “Structure of PE5-PPE4-ESPG3 complex from the type VII (esx-3) secretion system, space group I422”. X-ray diffraction, 5 pockets (best druggability 0.65). MolNFT v1 #167338 on GenesisL1: 3D structure…
- PDB
- 6VHR
- Type
- protein
- Length
- 497 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pe family immunomodulator PE5; Ppe family protein PPE4; Esx-3 secretion-associated…
- UniProt
- L7N695, P9WI43, B2HNX0
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pe family immunomodulator PE5 | protein | 73 | 73% helix, 0% strand | L7N695 |
| B | Ppe family protein PPE4 | protein | 164 | 73% helix, 1% strand | P9WI43 |
| C | Esx-3 secretion-associated protein ESPG3 | protein | 260 | 28% helix, 28% strand | B2HNX0 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.65 | 0.94 | 22 | empty |
| 2 | 361 | 0.60 | 0.77 | 35 | empty |
| 3 | 72 | 0.47 | 0.82 | 21 | empty |
| 4 | 57 | 0.34 | 0.77 | 12 | empty |
| 5 | 66 | 0.29 | 0.74 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–B · 2015 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 1558 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 6VHR · Structure of PE5-PPE4-EspG3 complex from the type VII (ESX-3) secretion system, space… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WI43 · AlphaFold monomer V2.0 prediction for ppe family protein PPE4 (P9WI43) · a predicted model of the same protein · chain B against A, TM-score 0.89
- L7N695 · AlphaFold monomer V2.0 prediction for pe family immunomodulator PE5 (L7N695) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 L7N695
- Every structure of UniProt P9WI43
- Every structure of UniProt B2HNX0
- Elsewhere: RCSB PDB 6VHR · PDBe 6VHR · UniProt L7N695 · UniProt P9WI43 · UniProt B2HNX0
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