MolNFT v1 · #167383 · protein
Structure of PE25-PPE41(A124L) in complex with ESPG5 chaperone from the type VII (esx-5) secretion system
6VJ5 · Pe-pgrs family protein PE25: “Structure of PE25-PPE41(A124L) in complex with ESPG5 chaperone from the type VII (esx-5) secretion system”. X-ray diffraction, 1 ligand (CL), 4 pockets (best druggability 0.57). MolNFT v1 #167383 on…
- PDB
- 6VJ5
- Type
- protein
- Length
- 545 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pe-pgrs family protein PE25; Ppe family protein PPE41; Esx-5 secretion-associated protein…
- UniProt
- I6X486, Q79FE1, B2HSU5
- Ligands
- CL
- Pockets
- 4 · best druggability 0.57
Structure
x-ray diffraction · 3 distinct chains · 54% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pe-pgrs family protein PE25 | protein | 85 | 80% helix, 0% strand | I6X486 |
| B | Ppe family protein PPE41 | protein | 174 | 79% helix, 0% strand | Q79FE1 |
| C | Esx-5 secretion-associated protein ESPG5 | protein | 286 | 32% helix, 28% strand | B2HSU5 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · 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 | 196 | 0.57 | 0.80 | 22 | empty |
| 2 | 86 | 0.41 | 0.78 | 20 | empty |
| 3 | 77 | 0.36 | 0.77 | 22 | empty |
| 4 | 51 | 0.24 | 0.73 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–B · 2194 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 1673 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6VJ5 · Structure of PE25-PPE41(A124L) in complex with EspG5 chaperone from the type VII (ESX-5)… · the same entry in another collection · chain A against A, TM-score 1.00
- B2HSU5 · AlphaFold monomer V2.0 prediction for esx-5 secretion-associated protein ESPG5 (B2HSU5) · a predicted model of the same protein · chain C against A, TM-score 0.99
- Q79FE1 · AlphaFold monomer V2.0 prediction for ppe family protein PPE41 (Q79FE1) · a predicted model of the same protein · chain B against A, TM-score 0.99
- I6X486 · AlphaFold monomer V2.0 prediction for pe-pgrs family protein PE25 (I6X486) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 I6X486
- Every structure of UniProt Q79FE1
- Every structure of UniProt B2HSU5
- Elsewhere: RCSB PDB 6VJ5 · PDBe 6VJ5 · UniProt I6X486 · UniProt Q79FE1 · UniProt B2HSU5
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