Research workbench
Crystal structure of the spin-labeled kcsa mutant V48R1
Analyse Crystal structure of the spin-labeled kcsa mutant V48R1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IFX
- Type
- protein
- Length
- 388 residues
- Chains
- 4
- Method
- x-ray diffraction; epr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Voltage-gated potassium channel
- UniProt
- P0A334
- Ligands
- MTN, TBA, K
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction; epr · 1 distinct chain · 66% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Voltage-gated potassium channel | protein | 97 | 66% helix, 0% strand | P0A334 |
Ligands and binding sites
- MTN · S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate · ligand · 4 copies · chains A, B, C, D
- TBA · Tetrabutylammonium ion · ligand · chains A, B, C, D
- K · Potassium ion · metal · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 724 | 0.81 | 0.84 | 76 | TBA |
| 2 | 102 | 0.52 | 0.82 | 25 | empty |
| 3 | 86 | 0.39 | 0.76 | 16 | empty |
| 4 | 63 | 0.32 | 0.75 | 13 | empty |
| 5 | 66 | 0.31 | 0.74 | 14 | empty |
Interfaces
6 interfaces between chains.
- C–D · 950 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 911 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 908 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 864 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 73 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 covalent (covalent ligand).
Compared structures
- 3IFX · Crystal structure of the Spin-labeled KcsA mutant V48R1 · 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 3IFX · PDBe 3IFX · UniProt P0A334
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