MolNFT v1 · #139439 · protein
Crystal structure of PE8-PPE15 in complex with ESPG5 from M. tuberculosis
5XFS · Pe family protein PE8: “Crystal structure of PE8-PPE15 in complex with ESPG5 from M. tuberculosis”. X-ray diffraction, 3 pockets (best druggability 0.60). MolNFT v1 #139439 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5XFS
- Type
- protein
- Length
- 526 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pe family protein PE8; Ppe family protein PPE15; Esx-5 secretion-associated protein ESPG5
- UniProt
- L7N667, P9WI31, O53943
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 53% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pe family protein PE8 | protein | 78 | 85% helix, 0% strand | L7N667 |
| B | Ppe family protein PPE15 | protein | 173 | 77% helix, 0% strand | P9WI31 |
| C | Esx-5 secretion-associated protein ESPG5 | protein | 275 | 30% helix, 28% strand | O53943 |
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 | 168 | 0.60 | 0.83 | 32 | empty |
| 2 | 107 | 0.45 | 0.78 | 24 | empty |
| 3 | 143 | 0.45 | 0.76 | 19 | empty |
Interfaces
2 interfaces between chains.
- A–B · 2078 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 1345 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5XFS · Crystal structure of PE8-PPE15 in complex with EspG5 from M. tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
- O53943 · AlphaFold monomer V2.0 prediction for esx-5 secretion-associated protein ESPG5 (O53943) · a predicted model of the same protein · chain C against A, TM-score 0.99
- P9WI31 · AlphaFold monomer V2.0 prediction for ppe family protein PPE15 (P9WI31) · a predicted model of the same protein · chain B 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 L7N667
- Every structure of UniProt P9WI31
- Every structure of UniProt O53943
- Elsewhere: RCSB PDB 5XFS · PDBe 5XFS · UniProt L7N667 · UniProt P9WI31 · UniProt O53943
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