Research workbench
Computationally designed cyclic dimer ANK3C2_1
Analyse Computationally designed cyclic dimer ANK3C2_1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5HRY
- Type
- protein
- Length
- 1,223 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ANK3C2_1
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 7 distinct chains · 53% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ANK3C2_1 | protein | 155 | 53% helix, 0% strand | — |
| B, F | ANK3C2_1 | protein | 156 | 54% helix, 0% strand | — |
| C | ANK3C2_1 | protein | 147 | 51% helix, 0% strand | — |
| D | ANK3C2_1 | protein | 154 | 55% helix, 0% strand | — |
| E | ANK3C2_1 | protein | 152 | 53% helix, 0% strand | — |
| G | ANK3C2_1 | protein | 146 | 53% helix, 0% strand | — |
| H | ANK3C2_1 | protein | 157 | 52% helix, 0% strand | — |
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 785 | 0.77 | 0.81 | 86 | empty |
| 2 | 902 | 0.74 | 0.78 | 93 | empty |
| 3 | 58 | 0.45 | 0.83 | 13 | empty |
| 4 | 90 | 0.42 | 0.79 | 16 | empty |
| 5 | 100 | 0.39 | 0.77 | 25 | empty |
Interfaces
14 interfaces between chains.
- C–D · 1001 Ų buried · 5 hydrogen bonds · protein-protein
- B–E · 978 Ų buried · 5 hydrogen bonds · protein-protein
- G–H · 955 Ų buried · 4 hydrogen bonds · protein-protein
- A–F · 899 Ų buried · 4 hydrogen bonds · protein-protein
- C–G · 466 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5HRY · Computationally Designed Cyclic Dimer ank3C2_1 · 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 5HRY · PDBe 5HRY
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