MolNFT v1 · #109248 · protein
Pore-forming thermostable direct hemolysin from grimontia hollisae
4WX3 · Hemolysin, heat labile: “Pore-forming thermostable direct hemolysin from grimontia hollisae”. X-ray diffraction, 6 pockets (best druggability 0.46). MolNFT v1 #109248 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4WX3
- Type
- protein
- Length
- 616 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemolysin, heat labile
- UniProt
- P14711
- Pockets
- 6 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Hemolysin, heat labile | protein | 154 | 10% helix, 56% strand | P14711 |
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 149 | 0.46 | 0.77 | 35 | empty |
| 2 | 177 | 0.46 | 0.75 | 36 | empty |
| 3 | 101 | 0.46 | 0.80 | 23 | empty |
| 4 | 137 | 0.43 | 0.76 | 31 | empty |
| 5 | 116 | 0.38 | 0.74 | 26 | empty |
Interfaces
4 interfaces between chains.
- B–C · 710 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 700 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 671 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 642 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4WX3 · pore-forming thermostable direct hemolysin from Grimontia hollisae · the same entry in another collection · chain C against C, TM-score 1.00
- P14711 · AlphaFold monomer V2.0 prediction for hemolysin, heat labile (P14711) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P14711
- Elsewhere: RCSB PDB 4WX3 · PDBe 4WX3 · UniProt P14711
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