MolNFT v1 · #30782 · protein
NMR structural studies of a potassium channel / charybdotoxin complex
2A9H · Voltage-gated potassium channel: “NMR structural studies of a potassium channel / charybdotoxin complex”. Solution nmr, 3 pockets (best druggability 0.85). MolNFT v1 #30782 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2A9H
- Type
- protein
- Length
- 425 residues
- Chains
- 5
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Voltage-gated potassium channel; Charybdotoxin
- UniProt
- P0A334
- Pockets
- 3 · best druggability 0.85
Structure
solution nmr · 2 distinct chains · 60% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Voltage-gated potassium channel | protein | 97 | 71% helix, 0% strand | P0A334 |
| E | Charybdotoxin | protein | 37 | 30% helix, 0% strand | — |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 207 | 0.85 | 0.98 | 32 | empty |
| 2 | 64 | 0.33 | 0.76 | 17 | empty |
| 3 | 60 | 0.32 | 0.76 | 20 | empty |
Interfaces
10 interfaces between chains.
- C–D · 1022 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 999 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 993 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 981 Ų buried · 13 hydrogen bonds · protein-protein
- C–E · 341 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 1 modified (disulfide, cyclization).
Compared structures
- 2A9H · NMR structural studies of a potassium channel / charybdotoxin complex · 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 P0A334
- Elsewhere: RCSB PDB 2A9H · PDBe 2A9H · UniProt P0A334
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