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Structure of the KcsA-G77A mutant or the 2,4-ion bound configuration of a K+ channel selectivity filter.
Analyse Structure of the KcsA-G77A mutant or the 2,4-ion bound configuration of a K+… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NFU
- Type
- protein
- Length
- 534 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.09
- Source
- Mus musculus; Streptomyces lividans
- Molecule
- antibody fragment heavy chain; antibody fragment light chain; pH-gated potassium channel…
- UniProt
- P0A334
- Ligands
- F09, 1EM, K
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · resolution 2.09 · 3 distinct chains · 18% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | antibody fragment heavy chain | protein | 219 | 3% helix, 51% strand | — |
| B | antibody fragment light chain | protein | 212 | 7% helix, 51% strand | — |
| C | pH-gated potassium channel KcsA | protein | 103 | 75% helix, 0% strand | P0A334 |
Ligands and binding sites
- F09 · Nonan-1-ol · ligand · chains A, C
- 1EM · (1S)-2-hydroxy-1-[(nonanoyloxy)methyl]ethyl myristate · ligand · chains C
- K · Potassium ion · metal · 4 copies · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 720 | 0.69 | 0.76 | 56 | empty |
| 2 | 162 | 0.49 | 0.77 | 31 | empty |
| 3 | 70 | 0.48 | 0.84 | 16 | empty |
| 4 | 64 | 0.44 | 0.83 | 21 | empty |
| 5 | 70 | 0.30 | 0.73 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1820 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 486 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 405 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6NFU · Structure of the kcsa-G77A mutant or the 2,4-ion bound configuration of a K+ channel… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A334 · AlphaFold monomer V2.0 prediction for pH-gated potassium channel kcsa (P0A334) · a predicted model of the same protein · chain C against A, TM-score 0.96
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 6NFU · PDBe 6NFU · UniProt P0A334
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