Research workbench
Crystal structure of the cusba heavy-metal efflux complex from escherichia COLI
Analyse Crystal structure of the cusba heavy-metal efflux complex from escherichia COLI in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NE5
- Type
- protein
- Length
- 1,674 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cation efflux system protein cusb; Cation efflux system protein cusa
- UniProt
- P77239, P38054
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Cation efflux system protein cusb | protein | 322 | 16% helix, 42% strand | P77239 |
| C | Cation efflux system protein cusb | protein | 324 | 21% helix, 45% strand | P77239 |
| A | Cation efflux system protein cusa | protein | 1028 | 51% helix, 19% strand | P38054 |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 485 | 0.85 | 0.92 | 59 | empty |
| 2 | 595 | 0.83 | 0.88 | 72 | empty |
| 3 | 140 | 0.77 | 0.94 | 29 | empty |
| 4 | 63 | 0.72 | 0.98 | 21 | empty |
| 5 | 58 | 0.72 | 0.97 | 21 | empty |
Interfaces
3 interfaces between chains.
- B–A · 2091 Ų buried · 34 hydrogen bonds · protein-protein
- B–C · 1730 Ų buried · 33 hydrogen bonds · protein-protein
- C–A · 1684 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 3NE5 · Crystal structure of the CusBA heavy-metal efflux complex from Escherichia coli · the same entry in another collection · chain B against B, TM-score 1.00
- P77239 · AlphaFold monomer V2.0 prediction for cation efflux system protein cusb (P77239) · a predicted model of the same protein · chain C against A, TM-score 0.99
- P38054 · AlphaFold monomer V2.0 prediction for cation efflux system protein cusa (P38054) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P77239
- Every structure of UniProt P38054
- Elsewhere: RCSB PDB 3NE5 · PDBe 3NE5 · UniProt P77239 · UniProt P38054
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