MolNFT v1 · #143747 · protein
Crystal structure of the MG2+/CAM:KV7.4 (KCNQ4) ab domain complex
6B8P · Potassium voltage-gated channel subfamily kqt member 4: “Crystal structure of the MG2+/CAM:KV7.4 (KCNQ4) ab domain complex”. X-ray diffraction, 2 ligands (MG, SO4), 16 pockets (best druggability 0.75). MolNFT v1 #143747 on…
- PDB
- 6B8P
- Type
- protein
- Length
- 873 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
- MG, SO4
- Pockets
- 16 · best druggability 0.75
Structure
x-ray diffraction · 6 distinct chains · 70% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Potassium voltage-gated channel subfamily kqt member 4 | protein | 76 | 82% helix, 0% strand | P56696 |
| B, F | Calmodulin-1 | protein | 145 | 56% helix, 8% strand | P0DP23 |
| C | Potassium voltage-gated channel subfamily kqt member 4 | protein | 75 | 84% helix, 0% strand | P56696 |
| D, H | Calmodulin-1 | protein | 146 | 60% helix, 7% strand | P0DP23 |
| E | Potassium voltage-gated channel subfamily kqt member 4 | protein | 71 | 83% helix, 0% strand | P56696 |
| G | Potassium voltage-gated channel subfamily kqt member 4 | protein | 69 | 84% helix, 0% strand | P56696 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 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
16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 586 | 0.75 | 0.82 | 61 | SO4 |
| 2 | 553 | 0.72 | 0.81 | 55 | SO4 |
| 3 | 166 | 0.67 | 0.87 | 39 | empty |
| 4 | 112 | 0.66 | 0.90 | 26 | empty |
| 5 | 136 | 0.64 | 0.87 | 31 | empty |
Interfaces
18 interfaces between chains.
- E–F · 2133 Ų buried · 20 hydrogen bonds · protein-protein
- G–H · 2066 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 2028 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 2022 Ų buried · 24 hydrogen bonds · protein-protein
- B–H · 885 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
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 6B8P · PDBe 6B8P · UniProt P56696 · UniProt P0DP23
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