Research workbench
Crystal structure of the KV7.1 proximal C-terminal domain in complex with calmodulin
Analyse Crystal structure of the KV7.1 proximal C-terminal domain in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UMO
- Type
- protein
- Length
- 459 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
- K, CA, SCN
- Pockets
- 9 · best druggability 0.57
Structure
x-ray diffraction · 4 distinct chains · 63% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Potassium voltage-gated channel subfamily kqt member 1 | protein | 75 | 83% helix, 0% strand | P51787 |
| B | Potassium voltage-gated channel subfamily kqt member 1 | protein | 96 | 65% helix, 0% strand | P51787 |
| C | Calmodulin | protein | 145 | 56% helix, 8% strand | P62158 |
| D | Calmodulin | protein | 143 | 58% helix, 8% strand | P62158 |
Ligands and binding sites
- K · Potassium ion · metal · 4 copies · chains A, B, D, C
- CA · Calcium ion · metal · 4 copies · chains C, D
- SCN · Thiocyanate ion · ion · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 246 | 0.57 | 0.78 | 29 | empty |
| 2 | 239 | 0.57 | 0.79 | 30 | SCN |
| 3 | 230 | 0.57 | 0.78 | 30 | empty |
| 4 | 122 | 0.46 | 0.78 | 20 | empty |
| 5 | 62 | 0.44 | 0.82 | 15 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1742 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 1158 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 1153 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 1117 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 1111 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4UMO · 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 0.51
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 4UMO · PDBe 4UMO · UniProt P51787 · UniProt P62158
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