MolNFT v1 · #158089 · protein
Structure of the assembled ATPase escn from the enteropathogenic E. COLI (epec) type III secretion system
6NJO · Translocator escn: “Structure of the assembled ATPase escn from the enteropathogenic E. COLI (epec) type III secretion system”. Electron microscopy, 3 ligands (ADP, AF3, MG), 20 pockets (best druggability 0.85). MolNFT v1 #158089 on…
- PDB
- 6NJO
- Type
- protein
- Length
- 2,466 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Translocator escn
- UniProt
- B7UMA6
- Ligands
- ADP, AF3, MG
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 3 distinct chains · 33% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, E | Translocator escn | protein | 412 | 34% helix, 20% strand | B7UMA6 |
| D | Translocator escn | protein | 413 | 35% helix, 23% strand | B7UMA6 |
| F | Translocator escn | protein | 405 | 30% helix, 19% strand | B7UMA6 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 4 copies · chains A, B, C, D, E
- AF3 · Aluminum fluoride · ligand · 4 copies · chains A, B, C, D, E
- MG · Magnesium ion · metal · 4 copies · chains B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1054 | 0.85 | 0.86 | 94 | empty |
| 2 | 671 | 0.84 | 0.88 | 72 | empty |
| 3 | 967 | 0.83 | 0.84 | 91 | empty |
| 4 | 1014 | 0.82 | 0.83 | 81 | empty |
| 5 | 937 | 0.82 | 0.84 | 75 | empty |
Interfaces
6 interfaces between chains.
- D–E · 2468 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 2227 Ų buried · 26 hydrogen bonds · protein-protein
- B–C · 2207 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 1936 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 1878 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 6NJO · Structure of the assembled ATPase EscN from the enteropathogenic E. coli (EPEC) type III… · the same entry in another collection · chain A against A, TM-score 1.00
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 B7UMA6
- Elsewhere: RCSB PDB 6NJO · PDBe 6NJO · UniProt B7UMA6
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