Research workbench
NMR studies of a channel protein without membranes: structure and dynamics of water-solubilized kcsa
Analyse NMR studies of a channel protein without membranes: structure and dynamics of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2K1E
- Type
- protein
- Length
- 412 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Water soluble analogue of potassium channel, kcsa
- Pockets
- 9 · best druggability 0.84
Structure
solution nmr · 1 distinct chain · 61% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Water soluble analogue of potassium channel, kcsa | protein | 103 | 61% helix, 0% strand | — |
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1014 | 0.84 | 0.85 | 71 | empty |
| 2 | 190 | 0.61 | 0.82 | 27 | empty |
| 3 | 105 | 0.48 | 0.80 | 17 | empty |
| 4 | 89 | 0.42 | 0.78 | 15 | empty |
| 5 | 105 | 0.39 | 0.76 | 24 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1085 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 1043 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 959 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 835 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 14 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2K1E · NMR studies of a channel protein without membranes: structure and dynamics of… · 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
- Elsewhere: RCSB PDB 2K1E · PDBe 2K1E
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