MolNFT v1 · #181693 · protein
Structural snapshots of intermediates in the gating of a K+ channel
7M2H · Fab heavy chain: “Structural snapshots of intermediates in the gating of a K+ channel”. X-ray diffraction, 4 ligands (F09, DGA, TBA), 11 pockets (best druggability 0.78). MolNFT v1 #181693 on GenesisL1: 3D structure, binding sites…
- PDB
- 7M2H
- Type
- protein
- Length
- 1,063 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab heavy chain; Fab light chain; PH-gated potassium channel kcsa
- UniProt
- P0A334
- Ligands
- F09, DGA, TBA, K
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 5 distinct chains · 12% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fab heavy chain | protein | 219 | 4% helix, 49% strand | — |
| B | Fab light chain | protein | 212 | 6% helix, 53% strand | — |
| C, F | PH-gated potassium channel kcsa | protein | 103 | 72% helix, 0% strand | P0A334 |
| D | Fab heavy chain | protein | 217 | 4% helix, 51% strand | — |
| E | Fab light chain | protein | 209 | 6% helix, 53% strand | — |
Ligands and binding sites
- F09 · Nonan-1-ol · ligand · 2 copies · chains A, C, D, F
- DGA · Diacyl glycerol · ligand · 2 copies · chains C, F
- TBA · Tetrabutylammonium ion · ligand · 2 copies · chains C, F
- K · Potassium ion · metal · 12 copies · chains C, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 972 | 0.78 | 0.80 | 100 | empty |
| 2 | 686 | 0.67 | 0.76 | 59 | empty |
| 3 | 108 | 0.51 | 0.82 | 26 | empty |
| 4 | 69 | 0.50 | 0.85 | 17 | empty |
| 5 | 144 | 0.49 | 0.78 | 27 | empty |
Interfaces
10 interfaces between chains.
- D–E · 1834 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1748 Ų buried · 17 hydrogen bonds · protein-protein
- D–F · 486 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 486 Ų buried · 10 hydrogen bonds · protein-protein
- E–F · 421 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 7M2H · 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 7M2H · PDBe 7M2H · UniProt P0A334
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