MolNFT v1 · #108223 · protein
Crystal structure of the KV7.1 proximal C-terminal domain in complex with calmodulin
4V0C · Potassium voltage-gated channel subfamily kqt member 1: “Crystal structure of the KV7.1 proximal C-terminal domain in complex with calmodulin”. X-ray diffraction, 2 ligands (CA, SCN), 8 pockets (best druggability 0.58). MolNFT v1…
- PDB
- 4V0C
- Type
- protein
- Length
- 461 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Potassium voltage-gated channel subfamily kqt member 1; Calmodulin
- UniProt
- P51787, P62158
- Ligands
- CA, SCN
- Pockets
- 8 · best druggability 0.58
Structure
x-ray diffraction · 4 distinct chains · 62% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Potassium voltage-gated channel subfamily kqt member 1 | protein | 96 | 65% helix, 0% strand | P51787 |
| B | Potassium voltage-gated channel subfamily kqt member 1 | protein | 77 | 82% helix, 0% strand | P51787 |
| C | Calmodulin | protein | 143 | 58% helix, 6% strand | P62158 |
| D | Calmodulin | protein | 145 | 54% helix, 3% strand | P62158 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.58 | 0.80 | 33 | SCN |
| 2 | 258 | 0.57 | 0.78 | 30 | empty |
| 3 | 271 | 0.54 | 0.76 | 33 | empty |
| 4 | 174 | 0.51 | 0.77 | 28 | empty |
| 5 | 73 | 0.39 | 0.79 | 15 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1741 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 1117 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 1116 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 1098 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 1081 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4V0C · Crystal Structure of the Kv7.1 proximal C-terminal Domain in Complex with Calmodulin · the same entry in another collection · chain A against A, TM-score 1.00
- P51787 · 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 0.52
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 P51787
- Every structure of UniProt P62158
- Elsewhere: RCSB PDB 4V0C · PDBe 4V0C · UniProt P51787 · UniProt P62158
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