MolNFT v1 · #167942 · protein
Closed-gate kcsa soaked in 0MM KCL/5MM BACL2
6W0F · Fab heavy chain: “Closed-gate kcsa soaked in 0MM KCL/5MM BACL2”. X-ray diffraction, 1 ligand (K), 4 pockets (best druggability 0.68). MolNFT v1 #167942 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6W0F
- Type
- protein
- Length
- 534 residues
- Chains
- 3
- 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
- K
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 18% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fab heavy chain | protein | 219 | 4% helix, 48% strand | — |
| B | Fab light chain | protein | 212 | 6% helix, 52% strand | — |
| C | PH-gated potassium channel kcsa | protein | 103 | 73% helix, 0% strand | P0A334 |
Ligands and binding sites
- K · Potassium ion · metal · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 715 | 0.68 | 0.76 | 55 | empty |
| 2 | 64 | 0.49 | 0.85 | 17 | empty |
| 3 | 162 | 0.48 | 0.77 | 27 | empty |
| 4 | 85 | 0.35 | 0.75 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1801 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 505 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 424 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6W0F · Closed-gate KcsA soaked in 0mM KCl/5mM BaCl2 · 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 6W0F · PDBe 6W0F · UniProt P0A334
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