MolNFT v1 · #143744 · protein
Crystal structure of the CA2+/CAM:KV7.4 (KCNQ4) ab domain complex, 1 mm CACL2 soak
6B8M · Potassium voltage-gated channel subfamily kqt member 4: “Crystal structure of the CA2+/CAM:KV7.4 (KCNQ4) ab domain complex, 1 mm CACL2 soak”. X-ray diffraction, 2 ligands (CA, SO4), 14 pockets (best druggability 0.74). MolNFT v1…
- PDB
- 6B8M
- Type
- protein
- Length
- 881 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Potassium voltage-gated channel subfamily kqt member 4; Calmodulin-1
- UniProt
- P56696, P0DP23
- Ligands
- CA, SO4
- Pockets
- 14 · best druggability 0.74
Structure
x-ray diffraction · 6 distinct chains · 70% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Potassium voltage-gated channel subfamily kqt member 4 | protein | 78 | 83% helix, 0% strand | P56696 |
| B, F | Calmodulin-1 | protein | 145 | 57% helix, 7% strand | P0DP23 |
| C | Potassium voltage-gated channel subfamily kqt member 4 | protein | 76 | 80% helix, 0% strand | P56696 |
| D, H | Calmodulin-1 | protein | 146 | 58% helix, 5% strand | P0DP23 |
| E | Potassium voltage-gated channel subfamily kqt member 4 | protein | 75 | 83% helix, 0% strand | P56696 |
| G | Potassium voltage-gated channel subfamily kqt member 4 | protein | 70 | 83% helix, 0% strand | P56696 |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains B, D, F, H
- SO4 · Sulfate ion · ion · 5 copies · chains C, F, D, E, A, B, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 586 | 0.74 | 0.82 | 59 | SO4 |
| 2 | 567 | 0.73 | 0.81 | 52 | SO4 |
| 3 | 164 | 0.69 | 0.88 | 39 | empty |
| 4 | 118 | 0.63 | 0.87 | 33 | empty |
| 5 | 252 | 0.58 | 0.78 | 31 | empty |
Interfaces
17 interfaces between chains.
- E–F · 2219 Ų buried · 22 hydrogen bonds · protein-protein
- G–H · 2201 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 2064 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 2006 Ų buried · 24 hydrogen bonds · protein-protein
- B–H · 864 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6B8M · Crystal Structure of the Ca2+/CaM:Kv7.4 (KCNQ4) AB Domain Complex, 1 mM CaCl2 soak · the same entry in another collection · chain H against H, TM-score 1.00
- P56696 · AlphaFold monomer V2.0 prediction for potassium voltage-gated channel subfamily kqt… · a predicted model of the same protein · chain A against A, TM-score 0.67
- P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain F against A, TM-score 0.54
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 P56696
- Every structure of UniProt P0DP23
- Elsewhere: RCSB PDB 6B8M · PDBe 6B8M · UniProt P56696 · UniProt P0DP23
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