MolNFT v1 · #163893 · protein
Structure of the esx-3 core complex
6SGW · Esx-3 secretion system ATPase ECCB3: “Structure of the esx-3 core complex”. Electron microscopy, 20 pockets (best druggability 0.80). MolNFT v1 #163893 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6SGW
- Type
- protein
- Length
- 3,020 residues
- Chains
- 10
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Esx-3 secretion system ATPase ECCB3; Esx-3 secretion system protein ECCD3; Esx-3…
- EC
- 3.6.-.-
- UniProt
- A0QQ39, A0QQ46, A0QQ40, A0QQ48
- Pockets
- 20 · best druggability 0.80
Structure
electron microscopy · 7 distinct chains · 46% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Esx-3 secretion system ATPase ECCB3 (EC 3.6.-.-) | protein | 81 | 47% helix, 1% strand | A0QQ39 |
| B, E | Esx-3 secretion system protein ECCD3 | protein | 427 | 60% helix, 7% strand | A0QQ46 |
| C, H | Esx-3 secretion system protein ECCD3 | protein | 442 | 60% helix, 6% strand | A0QQ46 |
| F | Esx-3 secretion system protein ECCC3 | protein | 336 | 29% helix, 15% strand | A0QQ40 |
| I | Esx-3 secretion system ATPase ECCB3 (EC 3.6.-.-) | protein | 59 | 76% helix, 0% strand | A0QQ39 |
| J | Esx-3 secretion system protein ECCC3 | protein | 324 | 29% helix, 16% strand | A0QQ40 |
| G, D | Esx-3 secretion system protein ECCE3 | protein | 241 | 34% helix, 19% strand | A0QQ48 |
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1148 | 0.80 | 0.82 | 88 | empty |
| 2 | 159 | 0.77 | 0.93 | 32 | empty |
| 3 | 99 | 0.69 | 0.92 | 22 | empty |
| 4 | 517 | 0.64 | 0.76 | 48 | empty |
| 5 | 442 | 0.63 | 0.76 | 25 | empty |
Interfaces
25 interfaces between chains.
- B–C · 3325 Ų buried · 16 hydrogen bonds · protein-protein
- E–H · 3323 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 1509 Ų buried · 7 hydrogen bonds · protein-protein
- H–I · 1333 Ų buried · 8 hydrogen bonds · protein-protein
- B–G · 1176 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6SGW · Structure of the ESX-3 core complex · the same entry in another collection · chain D against D, TM-score 1.00
- A0QQ40 · AlphaFold monomer V2.0 prediction for esx-3 secretion system protein ECCC3 (A0QQ40) · a predicted model of the same protein · chain J against A, TM-score 0.97
- A0QQ48 · AlphaFold monomer V2.0 prediction for esx-3 secretion system protein ECCE3 (A0QQ48) · a predicted model of the same protein · chain G 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 A0QQ39
- Every structure of UniProt A0QQ46
- Every structure of UniProt A0QQ40
- Every structure of UniProt A0QQ48
- Elsewhere: RCSB PDB 6SGW · PDBe 6SGW · UniProt A0QQ39 · UniProt A0QQ46 · UniProt A0QQ40 · UniProt A0QQ48
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