MolNFT v1 · #93633 · protein
Crystal structure of a parallel 6-helix coiled coil cc-hex-D24-A5/7C
4H8L: “Crystal structure of a parallel 6-helix coiled coil cc-hex-D24-A5/7C”. X-ray diffraction, 1 ligand (ACE), 1 pocket (best druggability 0.83). MolNFT v1 #93633 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4H8L
- Type
- protein
- Length
- 152 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cc-hex-D24-A5/7C
- Ligands
- ACE
- Pockets
- 1 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 92% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cc-hex-D24-A5/7C | protein | 26 | 92% helix, 0% strand | — |
| E, F | Cc-hex-D24-A5/7C | protein | 24 | 92% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 6 copies · chains A, B, E, C, D, 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 | 440 | 0.83 | 0.89 | 43 | empty |
Interfaces
6 interfaces between chains.
- B–E · 653 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 649 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 628 Ų buried · 3 hydrogen bonds · protein-protein
- E–F · 614 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 614 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 covalent, 6 disulfide (covalent ligand, disulfide).
Compared structures
- 4H8L · Crystal structure of a parallel 6-helix coiled coil CC-Hex-D24-A5/7C · 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 4H8L · PDBe 4H8L
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