MolNFT v1 · #186768 · protein
Structural snapshots of intermediates in the gating of a K+ channel
7RP0 · Kcsa Fab chain a: “Structural snapshots of intermediates in the gating of a K+ channel”. X-ray diffraction, 4 ligands (F09, TBA, DGA), 6 pockets (best druggability 0.68). MolNFT v1 #186768 on GenesisL1: 3D structure, binding sites…
- PDB
- 7RP0
- Type
- protein
- Length
- 534 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kcsa Fab chain a; Kcsa Fab chain B; PH-gated potassium channel kcsa
- UniProt
- P0A334
- Ligands
- F09, TBA, DGA, K
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 18% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kcsa Fab chain a | protein | 219 | 3% helix, 48% strand | — |
| B | Kcsa Fab chain B | protein | 212 | 6% helix, 53% strand | — |
| C | PH-gated potassium channel kcsa | protein | 103 | 74% helix, 0% strand | P0A334 |
Ligands and binding sites
- F09 · Nonan-1-ol · ligand · chains A, C
- TBA · Tetrabutylammonium ion · ligand · chains C
- DGA · Diacyl glycerol · ligand · chains C
- K · Potassium ion · metal · 4 copies · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 738 | 0.68 | 0.76 | 66 | empty |
| 2 | 66 | 0.50 | 0.85 | 13 | empty |
| 3 | 72 | 0.49 | 0.84 | 17 | empty |
| 4 | 72 | 0.47 | 0.83 | 21 | empty |
| 5 | 143 | 0.47 | 0.77 | 25 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1875 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 459 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 432 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7RP0 · Structural Snapshots of Intermediates in the Gating of a K+ Channel · 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 7RP0 · PDBe 7RP0 · UniProt P0A334
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