MolNFT v1 · #32143 · protein
Crystal structure of taiwan cobra cardiotoxin A3 complexed with sulfogalactoceramide
2BHI · Cytotoxin 3: “Crystal structure of taiwan cobra cardiotoxin A3 complexed with sulfogalactoceramide”. X-ray diffraction, 2 ligands (C10, SFT), 1 pocket (best druggability 0.60). MolNFT v1 #32143 on GenesisL1: 3D structure, binding…
- PDB
- 2BHI
- Type
- protein
- Length
- 120 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytotoxin 3
- UniProt
- P01444
- Ligands
- C10, SFT
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cytotoxin 3 | protein | 60 | 0% helix, 40% strand | P01444 |
Ligands and binding sites
- C10 · Hexaethylene glycol monodecyl ether · ligand · 11 copies · chains A, B
- SFT · Sulfogalactoceramide · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 274 | 0.60 | 0.78 | 38 | C10 |
Interfaces
1 interface between chains.
- A–B · 549 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 2BHI · Crystal structure of Taiwan cobra cardiotoxin A3 complexed with sulfogalactoceramide · the same entry in another collection · 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 P01444
- Elsewhere: RCSB PDB 2BHI · PDBe 2BHI · UniProt P01444
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