MolNFT v1 · #146195 · protein
2.0 ångström crystal structure of the D95V CA/CAM:CAV1.2 iq domain complex
6DAE · Calmodulin-1: “2.0 ångström crystal structure of the D95V CA/CAM:CAV1.2 iq domain complex”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.60). MolNFT v1 #146195 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6DAE
- Type
- protein
- Length
- 336 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin-1; Voltage-dependent L-type calcium channel subunit alpha-1C
- UniProt
- P0DP23, Q13936
- Ligands
- CA
- Pockets
- 5 · best druggability 0.60
Structure
x-ray diffraction · 4 distinct chains · 67% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin-1 | protein | 145 | 63% helix, 7% strand | P0DP23 |
| B | Calmodulin-1 | protein | 144 | 63% helix, 7% strand | P0DP23 |
| D | Voltage-dependent L-type calcium channel subunit alpha-1C | protein | 24 | 88% helix, 0% strand | Q13936 |
| C | Voltage-dependent L-type calcium channel subunit alpha-1C | protein | 23 | 91% helix, 0% strand | Q13936 |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 144 | 0.60 | 0.83 | 30 | empty |
| 2 | 288 | 0.59 | 0.78 | 58 | empty |
| 3 | 103 | 0.58 | 0.85 | 20 | empty |
| 4 | 86 | 0.34 | 0.74 | 15 | empty |
| 5 | 51 | 0.28 | 0.75 | 13 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1301 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 1297 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 634 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6DAE · 2.0 Angstrom crystal structure of the D95V Ca/CaM:CaV1.2 IQ domain complex · the same entry in another collection · chain C against C, TM-score 1.00
- Q13936 · AlphaFold monomer V2.0 prediction for voltage-dependent L-type calcium channel subunit… · a predicted model of the same protein · chain C against A, TM-score 0.74
- P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · 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 P0DP23
- Every structure of UniProt Q13936
- Elsewhere: RCSB PDB 6DAE · PDBe 6DAE · UniProt P0DP23 · UniProt Q13936
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