MolNFT v1 · #165098 · protein
Crystal structure of the computationally designed CAKE9 protein
6TJH: “Crystal structure of the computationally designed CAKE9 protein”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.77). MolNFT v1 #165098 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TJH
- Type
- protein
- Length
- 718 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CAKE9
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | CAKE9 | protein | 359 | 0% helix, 43% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 765 | 0.77 | 0.81 | 90 | empty |
| 2 | 272 | 0.58 | 0.78 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 1497 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 6TJH · Crystal structure of the computationally designed Cake9 protein · 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 6TJH · PDBe 6TJH
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