MolNFT v1 · #98057 · protein
Structure of the mycobacterium tuberculosis type VII secretion system chaperone ESPG5 in complex with PE25-PPE41 dimer
4KXR: “Structure of the mycobacterium tuberculosis type VII secretion system chaperone ESPG5 in complex with…”. X-ray diffraction, 3 pockets (best druggability 0.56). MolNFT v1 #98057 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4KXR
- Type
- protein
- Length
- 535 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PE25; PPE41; ESPG5
- UniProt
- I6X486, I6YDD9, O53943
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 57% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PE25 | protein | 85 | 86% helix, 0% strand | I6X486 |
| B | PPE41 | protein | 174 | 80% helix, 0% strand | I6YDD9 |
| C | ESPG5 | protein | 276 | 33% helix, 29% 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 | 189 | 0.56 | 0.80 | 22 | empty |
| 2 | 58 | 0.42 | 0.82 | 15 | empty |
| 3 | 81 | 0.41 | 0.78 | 19 | empty |
Interfaces
2 interfaces between chains.
- A–B · 2224 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 1509 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4KXR · Structure of the Mycobacterium tuberculosis type VII secretion system chaperone EspG5 in… · 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
- 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 0.98
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 I6YDD9
- Every structure of UniProt O53943
- Elsewhere: RCSB PDB 4KXR · PDBe 4KXR · UniProt I6X486 · UniProt I6YDD9 · UniProt O53943
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