MolNFT v1 · #114479 · protein
Crystal structure of the lhn fragment of botulinum neurotoxin type D, mutant H233Y E230Q
5BQN · Botulinum neurotoxin type D,BOTULINUM neurotoxin type D: “Crystal structure of the lhn fragment of botulinum neurotoxin type D, mutant H233Y E230Q”. X-ray diffraction, 10 pockets (best druggability 0.83). MolNFT v1 #114479 on…
- PDB
- 5BQN
- Type
- protein
- Length
- 838 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Botulinum neurotoxin type D,BOTULINUM neurotoxin type D
- EC
- 3.4.24.69
- UniProt
- P19321
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Botulinum neurotoxin type D,BOTULINUM neurotoxin type D (EC 3.4.24.69) | protein | 838 | 41% helix, 14% strand | P19321 |
Ligands and binding sites
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 832 | 0.83 | 0.85 | 108 | empty |
| 2 | 459 | 0.67 | 0.79 | 44 | empty |
| 3 | 459 | 0.66 | 0.78 | 45 | empty |
| 4 | 93 | 0.63 | 0.89 | 22 | empty |
| 5 | 356 | 0.59 | 0.77 | 38 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
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 P19321
- Elsewhere: RCSB PDB 5BQN · PDBe 5BQN · UniProt P19321
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