MolNFT v1 · #147613 · protein
A de novo designed heptameric coiled coil cc-hept-I24E
6EIK: “A de novo designed heptameric coiled coil cc-hept-I24E”. X-ray diffraction, 1 ligand (ACE), 1 pocket (best druggability 0.86). MolNFT v1 #147613 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6EIK
- Type
- protein
- Length
- 201 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cc-hept-I24E
- Ligands
- ACE
- Pockets
- 1 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 89% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, F, G | Cc-hept-I24E | protein | 29 | 86% helix, 0% strand | — |
| E | Cc-hept-I24E | protein | 27 | 93% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 7 copies · chains A, G, B, C, D, E, F
- GOL · Glycerol · additive · 4 copies · chains A, B, C, D, E, F, G
- FMT · Formic acid · additive · chains C
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 | 871 | 0.86 | 0.87 | 58 | GOL |
Interfaces
7 interfaces between chains.
- B–C · 812 Ų buried · 7 hydrogen bonds · protein-protein
- F–G · 779 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 777 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 772 Ų buried · 5 hydrogen bonds · protein-protein
- E–F · 765 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 covalent (covalent ligand).
Compared structures
- 6EIK · A de novo designed heptameric coiled coil CC-Hept-I24E · 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 6EIK · PDBe 6EIK
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