Research workbench
Structure of BETA2-bungarotoxin: potassium channel binding by kunitz modules and targeted phospholipase action
Analyse Structure of BETA2-bungarotoxin: potassium channel binding by kunitz modules… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1BUN
- Type
- protein
- Length
- 181 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BETA2-bungarotoxin
- EC
- 3.1.1.4
- UniProt
- P00617, P00989
- Ligands
- NA
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BETA2-bungarotoxin (EC 3.1.1.4) | protein | 120 | 46% helix, 9% strand | P00617 |
| B | BETA2-bungarotoxin (EC 3.1.1.4) | protein | 61 | 18% helix, 25% strand | P00989 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 101 | 0.47 | 0.80 | 19 | empty |
| 2 | 59 | 0.30 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 555 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 1BUN · Structure of BETA2-bungarotoxin: potassium channel binding by kunitz modules and targeted… · the same entry in another collection · chain A against A, TM-score 1.00
- P00617 · AlphaFold monomer V2.0 prediction for basic phospholipase A2 beta- bungarotoxin A1 chain… · a predicted model of the same protein · chain A against A, TM-score 0.96
- P00989 · AlphaFold monomer V2.0 prediction for kunitz-type serine protease inhibitor homolog… · a predicted model of the same protein · chain B against A, TM-score 0.89
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 P00617
- Every structure of UniProt P00989
- Elsewhere: RCSB PDB 1BUN · PDBe 1BUN · UniProt P00617 · UniProt P00989
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