MolNFT v1 · #107914 · protein
Coevolution of the ATPase clpv, the tssb-tssc sheath and the accessory hsie protein distinguishes two type VI secretion classes
4UQZ · HSIE1: “Coevolution of the ATPase clpv, the tssb-tssc sheath and the accessory hsie protein distinguishes two type VI…”. X-ray diffraction, 3 pockets (best druggability 0.45). MolNFT v1 #107914 on GenesisL1: 3D structure, binding…
- PDB
- 4UQZ
- Type
- protein
- Length
- 282 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HSIE1; HSIB1
- UniProt
- Q9I746, Q9I749
- Pockets
- 3 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HSIE1 | protein | 258 | 45% helix, 25% strand | Q9I746 |
| B | HSIB1 | protein | 24 | 0% helix, 13% strand | Q9I749 |
Ligands and binding sites
- ACT · Acetate ion · additive · chains A
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 | 137 | 0.45 | 0.77 | 31 | empty |
| 2 | 52 | 0.43 | 0.83 | 17 | empty |
| 3 | 108 | 0.35 | 0.73 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1518 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4UQZ · 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
- Q9I746 · AlphaFold monomer V2.0 prediction for type VI secretion system accessory component tagj… · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q9I749 · AlphaFold monomer V2.0 prediction for type VI secretion system sheath protein TSSB1… · a predicted model of the same protein · chain B against A, TM-score 0.25
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 Q9I746
- Every structure of UniProt Q9I749
- Elsewhere: RCSB PDB 4UQZ · PDBe 4UQZ · UniProt Q9I746 · UniProt Q9I749
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