MolNFT v1 · #79499 · protein
Crystal structures of the pre-extrusion and extrusion states of the cusba adaptor-transporter complex
3T51 · Cation efflux system protein cusb: “Crystal structures of the pre-extrusion and extrusion states of the cusba adaptor-transporter complex”. X-ray diffraction, 1 ligand (CU), 20 pockets (best druggability 0.85). MolNFT v1 #79499 on…
- PDB
- 3T51
- Type
- protein
- Length
- 1,672 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 0.85
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, C | Cation efflux system protein cusb | protein | 322 | 17% helix, 36% strand | P77239 |
| A | Cation efflux system protein cusa | protein | 1028 | 48% helix, 15% strand | P38054 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 2 copies · 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, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 850 | 0.85 | 0.88 | 90 | empty |
| 2 | 142 | 0.78 | 0.95 | 33 | empty |
| 3 | 102 | 0.76 | 0.96 | 24 | CU |
| 4 | 111 | 0.76 | 0.96 | 28 | empty |
| 5 | 63 | 0.72 | 0.98 | 22 | empty |
Interfaces
3 interfaces between chains.
- B–A · 2231 Ų buried · 26 hydrogen bonds · protein-protein
- B–C · 1830 Ų buried · 30 hydrogen bonds · protein-protein
- C–A · 1736 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3T51 · Crystal structures of the pre-extrusion and extrusion states of the CusBA… · 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 3T51 · PDBe 3T51 · UniProt P77239 · UniProt P38054
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