Research workbench
Crystal structure of a hetero-hexamer coiled coil
Analyse Crystal structure of a hetero-hexamer coiled coil in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3R48
- Type
- protein
- Length
- 182 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coiled coil helix W22-L24H; Coiled coil helix Y15-L24D
- Ligands
- ACE
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 92% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, G | Coiled coil helix W22-L24H | protein | 31 | 90% helix, 0% strand | — |
| B, C, E | Coiled coil helix Y15-L24D | protein | 30 | 93% helix, 0% strand | — |
| F | Coiled coil helix W22-L24H | protein | 30 | 93% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 6 copies · chains A, B, C, E, F, G
- GOL · Glycerol · additive · chains E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 346 | 0.85 | 0.93 | 42 | empty |
| 2 | 99 | 0.49 | 0.81 | 12 | empty |
Interfaces
9 interfaces between chains.
- B–G · 716 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 714 Ų buried · 3 hydrogen bonds · protein-protein
- E–G · 708 Ų buried · 3 hydrogen bonds · protein-protein
- E–F · 698 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 694 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 covalent (covalent ligand).
Compared structures
- 3R48 · Crystal structure of a hetero-hexamer coiled coil · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 3R48 · PDBe 3R48
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