Research workbench
Crystal structure of the cusba heavy-metal efflux complex from escherichia COLI, E716F mutant
Analyse Crystal structure of the cusba heavy-metal efflux complex from escherichia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4DNR
- Type
- protein
- Length
- 1,677 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
- Ligands
- CU
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 36% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Cation efflux system protein cusb | protein | 322 | 16% helix, 37% strand | P77239 |
| C | Cation efflux system protein cusb | protein | 324 | 20% helix, 44% strand | P77239 |
| A | Cation efflux system protein cusa | protein | 1031 | 47% helix, 17% strand | P38054 |
Ligands and binding sites
- CU · Copper (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 926 | 0.84 | 0.86 | 102 | empty |
| 2 | 976 | 0.83 | 0.84 | 91 | empty |
| 3 | 77 | 0.75 | 0.98 | 22 | empty |
| 4 | 56 | 0.73 | 0.99 | 19 | empty |
| 5 | 85 | 0.73 | 0.96 | 23 | empty |
Interfaces
3 interfaces between chains.
- B–A · 2185 Ų buried · 33 hydrogen bonds · protein-protein
- B–C · 1785 Ų buried · 33 hydrogen bonds · protein-protein
- C–A · 1625 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4DNR · Crystal structure of the CusBA heavy-metal efflux complex from Escherichia coli, E716F… · 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 0.93
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 4DNR · PDBe 4DNR · UniProt P77239 · UniProt P38054
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