MolNFT v1 · #107911 · protein
Coevolution of the ATPase clpv, the tssb-tssc sheath and the accessory hsie protein distinguishes two type VI secretion classes
4UQW · Protein CLPV1: “Coevolution of the ATPase clpv, the tssb-tssc sheath and the accessory hsie protein distinguishes two type VI…”. X-ray diffraction, 1 ligand (BEN), 3 pockets (best druggability 0.47). MolNFT v1 #107911 on GenesisL1…
- PDB
- 4UQW
- Type
- protein
- Length
- 319 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein CLPV1
- UniProt
- Q9I742
- Ligands
- BEN
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 65% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein CLPV1 | protein | 162 | 65% helix, 4% strand | Q9I742 |
| B | Protein CLPV1 | protein | 157 | 64% helix, 4% strand | Q9I742 |
Ligands and binding sites
- BEN · Benzamidine · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 98 | 0.47 | 0.80 | 19 | BEN |
| 2 | 87 | 0.45 | 0.80 | 16 | empty |
| 3 | 63 | 0.37 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 769 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4UQW · Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I742 · AlphaFold monomer V2.0 prediction for aaa+ ATPase CLPV1 (Q9I742) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 Q9I742
- Elsewhere: RCSB PDB 4UQW · PDBe 4UQW · UniProt Q9I742
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