MolNFT v1 · #158090 · protein
Structure of the assembled ATPase escn in complex with its central stalk esco from the enteropathogenic E. COLI (epec) type III secretion system
6NJP · Translocator escn: “Structure of the assembled ATPase escn in complex with its central stalk esco from the enteropathogenic E.…”. Electron microscopy, 3 ligands (ADP, AF3, MG), 20 pockets (best druggability 0.85). MolNFT v1 #158090…
- PDB
- 6NJP
- Type
- protein
- Length
- 2,530 residues
- Chains
- 7
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Translocator escn; Esco
- UniProt
- B7UMA6, B7UMA5
- Ligands
- ADP, AF3, MG
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 4 distinct chains · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, E | Translocator escn | protein | 412 | 34% helix, 21% strand | B7UMA6 |
| D | Translocator escn | protein | 413 | 33% helix, 23% strand | B7UMA6 |
| F | Translocator escn | protein | 405 | 33% helix, 20% strand | B7UMA6 |
| G | Esco | protein | 64 | 73% helix, 0% strand | B7UMA5 |
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, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 974 | 0.85 | 0.86 | 112 | ADP, MG, AF3 |
| 2 | 1005 | 0.84 | 0.85 | 86 | empty |
| 3 | 637 | 0.84 | 0.88 | 71 | empty |
| 4 | 956 | 0.83 | 0.85 | 85 | empty |
| 5 | 982 | 0.82 | 0.84 | 80 | empty |
Interfaces
12 interfaces between chains.
- D–E · 2490 Ų buried · 30 hydrogen bonds · protein-protein
- B–C · 2259 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 2186 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 1943 Ų buried · 26 hydrogen bonds · protein-protein
- E–F · 1888 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6NJP · Structure of the assembled ATPase EscN in complex with its central stalk EscO from the… · 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
- Every structure of UniProt B7UMA5
- Elsewhere: RCSB PDB 6NJP · PDBe 6NJP · UniProt B7UMA6 · UniProt B7UMA5
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