MolNFT v1 · #146194 · protein
1.65 ångström crystal structure of the N97I CA/CAM:CAV1.2 iq domain complex
6DAD · Calmodulin-1: “1.65 ångström crystal structure of the N97I CA/CAM:CAV1.2 iq domain complex”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.58). MolNFT v1 #146194 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6DAD
- Type
- protein
- Length
- 339 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 0.58
Structure
x-ray diffraction · 3 distinct chains · 71% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Calmodulin-1 | protein | 144 | 64% helix, 7% strand | P0DP23 |
| C | Voltage-dependent L-type calcium channel subunit alpha-1C | protein | 25 | 92% helix, 0% strand | Q13936 |
| D | Voltage-dependent L-type calcium channel subunit alpha-1C | protein | 26 | 92% 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 183 | 0.58 | 0.81 | 28 | empty |
| 2 | 71 | 0.49 | 0.84 | 16 | empty |
| 3 | 114 | 0.36 | 0.73 | 26 | empty |
| 4 | 55 | 0.34 | 0.78 | 18 | empty |
| 5 | 63 | 0.33 | 0.76 | 13 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1352 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 1196 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 768 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6DAD · 1.65 Angstrom crystal structure of the N97I Ca/CaM:CaV1.2 IQ domain complex · the same entry in another collection · chain D against D, 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 0.86
- P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain A against A, TM-score 0.50
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 6DAD · PDBe 6DAD · UniProt P0DP23 · UniProt Q13936
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