MolNFT v1 · #166761 · protein
Structure of human KCNQ1-KCNE3-cam complex with PIP2
6V01 · Calmodulin-1: “Structure of human KCNQ1-KCNE3-cam complex with PIP2”. Electron microscopy, 2 ligands (PT5, CA), 20 pockets (best druggability 0.85). MolNFT v1 #166761 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6V01
- Type
- protein
- Length
- 2,060 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin-1; Potassium voltage-gated channel subfamily E member 3, potassium…
- UniProt
- P0DP23, Q9Y6H6, P51787
- Ligands
- PT5, CA
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 3 distinct chains · 59% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, E, H, K | Calmodulin-1 | protein | 144 | 43% helix, 0% strand | P0DP23 |
| C, F, I, L | Potassium voltage-gated channel subfamily E member 3, potassium voltage-gated channel subfamily E member 3 | protein | 40 | 50% helix, 0% strand | Q9Y6H6 |
| A, J, D, G | Potassium voltage-gated channel subfamily kqt member 1 | protein | 331 | 67% helix, 1% strand | P51787 |
Ligands and binding sites
- PT5 · (1S)-2-{[(R)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy) cyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy) methyl]ethyl (8E,11E)-icosa-5,8,11,14-tetraenoate · ligand · 4 copies · chains C, A, D, L, J, F, I, G
- CA · Calcium ion · metal · 8 copies · chains B, E, H, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 812 | 0.85 | 0.88 | 96 | empty |
| 2 | 332 | 0.76 | 0.87 | 36 | empty |
| 3 | 1084 | 0.75 | 0.78 | 93 | empty |
| 4 | 306 | 0.75 | 0.87 | 34 | empty |
| 5 | 294 | 0.74 | 0.87 | 31 | empty |
Interfaces
30 interfaces between chains.
- A–D · 2222 Ų buried · 10 hydrogen bonds · protein-protein
- A–J · 2220 Ų buried · 11 hydrogen bonds · protein-protein
- J–G · 2208 Ų buried · 11 hydrogen bonds · protein-protein
- D–G · 2203 Ų buried · 10 hydrogen bonds · protein-protein
- H–G · 1417 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6V01 · structure of human KCNQ1-KCNE3-CaM complex with PIP2 · the same entry in another collection · chain B against B, TM-score 1.00
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 P0DP23
- Every structure of UniProt Q9Y6H6
- Every structure of UniProt P51787
- Elsewhere: RCSB PDB 6V01 · PDBe 6V01 · UniProt P0DP23 · UniProt Q9Y6H6 · UniProt P51787
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