MolNFT v1 · #165686 · protein
1.65 ångström crystal structure of the N97S ca-CAM:CAV1.2 iq domain complex
6U3A · Calmodulin-1: “1.65 ångström crystal structure of the N97S ca-CAM:CAV1.2 iq domain complex”. X-ray diffraction, 2 ligands (CA, NA), 6 pockets (best druggability 0.69). MolNFT v1 #165686 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6U3A
- Type
- protein
- Length
- 343 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, NA
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 65% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin-1 | protein | 147 | 63% helix, 7% strand | P0DP23 |
| C | Voltage-dependent L-type calcium channel subunit alpha-1C | protein | 26 | 92% helix, 0% strand | Q13936 |
| B | Calmodulin-1 | protein | 145 | 61% helix, 6% strand | P0DP23 |
| D | Voltage-dependent L-type calcium channel subunit alpha-1C | protein | 25 | 76% helix, 0% strand | Q13936 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.69 | 0.95 | 19 | empty |
| 2 | 72 | 0.49 | 0.84 | 18 | empty |
| 3 | 144 | 0.45 | 0.76 | 26 | empty |
| 4 | 86 | 0.39 | 0.77 | 18 | empty |
| 5 | 66 | 0.32 | 0.75 | 14 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1350 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 1344 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 700 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6U3A · 1.65 Angstrom crystal structure of the N97S 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 D against A, TM-score 0.81
- P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain B 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 6U3A · PDBe 6U3A · UniProt P0DP23 · UniProt Q13936
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