MolNFT v1 · #118352 · protein
A de novo designed heptameric coiled coil cc-hept-I-H-I
5EZ9 · Cc-hept-L22H: “A de novo designed heptameric coiled coil cc-hept-I-H-I”. X-ray diffraction, 1 ligand (ACE), 1 pocket (best druggability 0.87). MolNFT v1 #118352 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5EZ9
- Type
- protein
- Length
- 205 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cc-hept-L22H
- Ligands
- ACE
- Pockets
- 1 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 93% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E, G | Cc-hept-L22H | protein | 29 | 93% helix, 0% strand | — |
| B, F | Cc-hept-L22H | protein | 30 | 93% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 7 copies · chains A, C, B, G, D, E, F
- HEZ · Hexane-1,6-diol · additive · chains A, B, C, D, E, F, G
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 | 981 | 0.87 | 0.86 | 56 | HEZ |
Interfaces
7 interfaces between chains.
- D–E · 803 Ų buried · 6 hydrogen bonds · protein-protein
- B–G · 801 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 775 Ų buried · 5 hydrogen bonds · protein-protein
- F–G · 766 Ų buried · 4 hydrogen bonds · protein-protein
- B–E · 762 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 covalent (covalent ligand).
Compared structures
- 5EZ9 · A de novo designed heptameric coiled coil CC-Hept-I-H-I · 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 5EZ9 · PDBe 5EZ9
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