MolNFT v1 · #24242 · protein
The crystal structure of the snake venom toxin convulxin
1UOS · Convulxin alpha: “The crystal structure of the snake venom toxin convulxin”. X-ray diffraction, 5 pockets (best druggability 0.61). MolNFT v1 #24242 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1UOS
- Type
- protein
- Length
- 514 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Convulxin alpha; Convulxin beta
- UniProt
- O93426, O93427
- Pockets
- 5 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Convulxin alpha | protein | 133 | 23% helix, 30% strand | O93426 |
| B, D | Convulxin beta | protein | 124 | 19% helix, 33% strand | O93427 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.61 | 0.79 | 35 | empty |
| 2 | 315 | 0.60 | 0.79 | 35 | empty |
| 3 | 141 | 0.39 | 0.74 | 25 | empty |
| 4 | 61 | 0.39 | 0.80 | 14 | empty |
| 5 | 55 | 0.39 | 0.80 | 14 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1966 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 1964 Ų buried · 33 hydrogen bonds · protein-protein
- B–C · 273 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 267 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 118 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 disulfide (disulfide).
Compared structures
- 1UOS · The Crystal Structure of the Snake Venom Toxin Convulxin · the same entry in another collection · chain A against A, TM-score 1.00
- O93426 · AlphaFold monomer V2.0 prediction for snaclec convulxin subunit alpha (O93426) · a predicted model of the same protein · chain A against A, TM-score 1.00
- O93427 · AlphaFold monomer V2.0 prediction for snaclec convulxin subunit beta (O93427) · a predicted model of the same protein · chain B 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 O93426
- Every structure of UniProt O93427
- Elsewhere: RCSB PDB 1UOS · PDBe 1UOS · UniProt O93426 · UniProt O93427
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