Research workbench
Open-gate kcsa soaked in 2 mm BACL2
Analyse Open-gate kcsa soaked in 2 mm BACL2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6W0B
- Type
- protein
- Length
- 523 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
- BA, K
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 3 distinct chains · 16% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fab heavy chain | protein | 218 | 3% helix, 49% strand | — |
| B | Fab light chain | protein | 212 | 7% helix, 47% strand | — |
| C | PH-gated potassium channel kcsa | protein | 93 | 69% helix, 0% strand | P0A334 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 642 | 0.64 | 0.75 | 53 | empty |
| 2 | 82 | 0.56 | 0.87 | 19 | empty |
| 3 | 79 | 0.51 | 0.84 | 18 | empty |
| 4 | 170 | 0.47 | 0.76 | 36 | empty |
| 5 | 75 | 0.31 | 0.73 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1829 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 521 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 416 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6W0B · Open-gate KcsA soaked in 2 mM 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 6W0B · PDBe 6W0B · UniProt P0A334
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