MolNFT v1 · #163894 · protein
Structure of protomer 1 of the esx-3 core complex
6SGX · Esx-3 secretion system ECCB3: “Structure of protomer 1 of the esx-3 core complex”. Electron microscopy, 20 pockets (best druggability 0.74). MolNFT v1 #163894 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6SGX
- Type
- protein
- Length
- 1,512 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Esx-3 secretion system ECCB3; Esx-3 secretion system protein ECCD3; Esx-3 secretion…
- EC
- 3.6.-.-
- UniProt
- A0QQ39, A0QQ46, A0QQ40, A0QQ48
- Pockets
- 20 · best druggability 0.74
Structure
electron microscopy · 5 distinct chains · 48% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Esx-3 secretion system ECCB3 (EC 3.6.-.-) | protein | 70 | 54% helix, 1% strand | A0QQ39 |
| B | Esx-3 secretion system protein ECCD3 | protein | 426 | 61% helix, 7% strand | A0QQ46 |
| C | Esx-3 secretion system protein ECCD3 | protein | 438 | 60% helix, 6% strand | A0QQ46 |
| F | Esx-3 secretion system protein ECCC3 | protein | 337 | 27% helix, 16% strand | A0QQ40 |
| G | Esx-3 secretion system protein ECCE3 | protein | 241 | 34% helix, 20% strand | A0QQ48 |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 132 | 0.74 | 0.93 | 30 | empty |
| 2 | 253 | 0.64 | 0.82 | 32 | empty |
| 3 | 487 | 0.61 | 0.75 | 45 | empty |
| 4 | 189 | 0.58 | 0.81 | 30 | empty |
| 5 | 377 | 0.58 | 0.75 | 26 | empty |
Interfaces
8 interfaces between chains.
- B–C · 3352 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 1457 Ų buried · 9 hydrogen bonds · protein-protein
- B–G · 1124 Ų buried · 6 hydrogen bonds · protein-protein
- C–F · 970 Ų buried · 6 hydrogen bonds · protein-protein
- A–F · 969 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6SGX · Structure of protomer 1 of the ESX-3 core complex · the same entry in another collection · chain G against G, TM-score 1.00
- 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 0.98
- A0QQ40 · AlphaFold monomer V2.0 prediction for esx-3 secretion system protein ECCC3 (A0QQ40) · a predicted model of the same protein · chain F against A, TM-score 0.94
- A0QQ46 · AlphaFold monomer V2.0 prediction for esx-3 secretion system protein ECCD3 (A0QQ46) · a predicted model of the same protein · chain B against A, TM-score 0.78
- A0QQ39 · AlphaFold monomer V2.0 prediction for esx-3 secretion system ATPase ECCB3 (A0QQ39) · a predicted model of the same protein · chain A against A, TM-score 0.52
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 6SGX · PDBe 6SGX · UniProt A0QQ39 · UniProt A0QQ46 · UniProt A0QQ40 · UniProt A0QQ48
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