Research workbench
A de novo designed hexameric coiled coil cc-HEX2 with farnesol bound in the channel.
Analyse A de novo designed hexameric coiled coil cc-HEX2 with farnesol bound in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6EIZ
- Type
- protein
- Length
- 178 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cc-HEX2
- Ligands
- ACE, FOF
- Pockets
- 1 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 88% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E | Cc-HEX2 | protein | 30 | 87% helix, 0% strand | — |
| B, F | Cc-HEX2 | protein | 29 | 90% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 5 copies · chains A, B, C, E, F
- FOF · (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol · ligand · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 512 | 0.86 | 0.90 | 48 | FOF |
Interfaces
6 interfaces between chains.
- A–F · 713 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 711 Ų buried · 4 hydrogen bonds · protein-protein
- E–F · 711 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 704 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 701 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 covalent (covalent ligand).
Compared structures
- 6EIZ · A de novo designed hexameric coiled coil CC-Hex2 with farnesol bound in the channel. · 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 6EIZ · PDBe 6EIZ
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