Research workbench
Structure of the assembled ATPase escn in complex with its central stalk esco from the enteropathogenic E. COLI (epec) type III secretion system
Analyse Structure of the assembled ATPase escn in complex with its central stalk esco… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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