MolNFT v1 · #117381 · protein
Crystal structure of de novo designed protein CA01
5E6G: “Crystal structure of de novo designed protein CA01”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.71). MolNFT v1 #117381 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5E6G
- Type
- protein
- Length
- 227 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- De novo designed protein CA01
- Ligands
- PO4
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 83% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | De novo designed protein CA01 | protein | 113 | 81% helix, 0% strand | — |
| B | De novo designed protein CA01 | protein | 114 | 85% helix, 0% strand | — |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 427 | 0.71 | 0.81 | 35 | GOL |
| 2 | 53 | 0.25 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 612 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 5E6G · Crystal Structure of De Novo Designed Protein CA01 · 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 5E6G · PDBe 5E6G
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