Research workbench
The crystal structure of cav BETA4C in complex with HP1GAMMA chromo shadow domains
Analyse The crystal structure of cav BETA4C in complex with HP1GAMMA chromo shadow… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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