MolNFT v1 · #151717 · protein
The crystal structure of cav BETA4C in complex with HP1GAMMA chromo shadow domains
6HW2 · Voltage-dependent L-type calcium channel subunit beta-4: “The crystal structure of cav BETA4C in complex with HP1GAMMA chromo shadow domains”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.26). MolNFT v1 #151717 on…
- PDB
- 6HW2
- Type
- protein
- Length
- 259 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Voltage-dependent L-type calcium channel subunit beta-4; Chromobox protein homolog 3
- UniProt
- Q13185
- Ligands
- CA
- Pockets
- 1 · best druggability 0.26
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Voltage-dependent L-type calcium channel subunit beta-4 | protein | 127 | 31% helix, 28% strand | — |
| B | Chromobox protein homolog 3 | protein | 69 | 32% helix, 32% strand | Q13185 |
| C | Chromobox protein homolog 3 | protein | 63 | 35% helix, 32% strand | Q13185 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B, C
- BME · Beta-mercaptoethanol · additive · 5 copies · chains A, B, C
- GOL · Glycerol · additive · chains A, B
- ACT · Acetate ion · additive
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.26 | 0.73 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–B · 983 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 722 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 392 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 6HW2 · The Crystal Structure of CaV beta4c in complex with HP1gamma chromo shadow domains · the same entry in another collection · chain A against A, TM-score 1.00
- Q13185 · AlphaFold monomer V2.0 prediction for chromobox protein homolog 3 (Q13185) · a predicted model of the same protein · chain C against A, TM-score 0.94
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 Q13185
- Elsewhere: RCSB PDB 6HW2 · PDBe 6HW2 · UniProt Q13185
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