MolNFT v1 · #85911 · protein
Crystal structure of a calmodulin in complex with the regulatory domain of a plasma-membrane CA2+-ATPase
4AQR · Calmodulin-7: “Crystal structure of a calmodulin in complex with the regulatory domain of a plasma-membrane CA2+-ATPase”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.60). MolNFT v1 #85911 on GenesisL1: 3D…
- PDB
- 4AQR
- Type
- protein
- Length
- 343 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin-7; Calcium-transporting ATPase 8, plasma membrane-type
- EC
- 3.6.3.8
- UniProt
- P59220, Q9LF79
- Ligands
- CA
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 65% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin-7 | protein | 145 | 59% helix, 3% strand | P59220 |
| B | Calmodulin-7 | protein | 141 | 59% helix, 3% strand | P59220 |
| D | Calcium-transporting ATPase 8, plasma membrane-type (EC 3.6.3.8) | protein | 57 | 96% helix, 0% strand | Q9LF79 |
Ligands and binding sites
- CA · Calcium ion · metal · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 246 | 0.60 | 0.80 | 21 | empty |
| 2 | 150 | 0.50 | 0.78 | 21 | empty |
| 3 | 100 | 0.38 | 0.75 | 17 | empty |
Interfaces
2 interfaces between chains.
- A–D · 1950 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 1497 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4AQR · Crystal structure of calmodulin in complex with the regulatory domain of a… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9LF79 · AlphaFold monomer V2.0 prediction for calcium-transporting ATPase 8, plasma membrane-type… · a predicted model of the same protein · chain D against A, TM-score 0.70
- P59220 · AlphaFold monomer V2.0 prediction for calmodulin-7 (P59220) · a predicted model of the same protein · chain B 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 P59220
- Every structure of UniProt Q9LF79
- Elsewhere: RCSB PDB 4AQR · PDBe 4AQR · UniProt P59220 · UniProt Q9LF79
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