Research workbench
Crystal structure of a cc-hex mutant that forms a parallel six-helix coiled coil cc-hex*-L24E
Analyse Crystal structure of a cc-hex mutant that forms a parallel six-helix coiled… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6Q5J
- Type
- protein
- Length
- 170 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cc-hex*-L24E
- Ligands
- ACE, NH2
- Pockets
- 1 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 86% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cc-hex*-L24E | protein | 30 | 90% helix, 0% strand | — |
| E | Cc-hex*-L24E | protein | 24 | 88% helix, 0% strand | — |
| F | Cc-hex*-L24E | protein | 26 | 81% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 6 copies · chains A, B, C, D, E, F
- NH2 · Amino group · ion · chains C, D
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · 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 | 551 | 0.84 | 0.89 | 54 | MES |
Interfaces
7 interfaces between chains.
- C–D · 735 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 724 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 722 Ų buried · 2 hydrogen bonds · protein-protein
- A–F · 676 Ų buried · 1 hydrogen bond · protein-protein
- E–F · 646 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 covalent (covalent ligand).
Compared structures
- 6Q5J · Crystal structure of a CC-Hex mutant that forms a parallel six-helix 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 6Q5J · PDBe 6Q5J
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