Research workbench
Human KCNQ2-cam in complex with ZTZ240
Analyse Human KCNQ2-cam in complex with ZTZ240 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7CR4
- Type
- protein
- Length
- 1,968 residues
- Chains
- 8
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Potassium voltage-gated channel subfamily kqt member 2; Calmodulin-3
- UniProt
- O43526, P0DP25
- Ligands
- GB9
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 2 distinct chains · 73% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, F | Potassium voltage-gated channel subfamily kqt member 2 | protein | 349 | 79% helix, 0% strand | O43526 |
| H, C, E, G | Calmodulin-3 | protein | 143 | 57% helix, 7% strand | P0DP25 |
Ligands and binding sites
- GB9 · N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide · ligand · 4 copies · chains A, B, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 998 | 0.86 | 0.86 | 69 | empty |
| 2 | 424 | 0.83 | 0.91 | 59 | empty |
| 3 | 998 | 0.80 | 0.81 | 86 | GB9 |
| 4 | 115 | 0.80 | 0.98 | 31 | empty |
| 5 | 131 | 0.79 | 0.96 | 32 | empty |
Interfaces
10 interfaces between chains.
- B–F · 2413 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 2363 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 2345 Ų buried · 18 hydrogen bonds · protein-protein
- D–F · 2341 Ų buried · 19 hydrogen bonds · protein-protein
- D–E · 2220 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 7CR4 · human KCNQ2-CaM in complex with ztz240 · the same entry in another collection · chain G against G, TM-score 1.00
- O43526 · 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 0.85
- P0DP25 · AlphaFold monomer V2.0 prediction for calmodulin-3 (P0DP25) · a predicted model of the same protein · chain G 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 O43526
- Every structure of UniProt P0DP25
- Elsewhere: RCSB PDB 7CR4 · PDBe 7CR4 · UniProt O43526 · UniProt P0DP25
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