MolNFT v1 · #50057 · protein
Crystal structure of the possum milk whey lipocalin trichosurin at pH 8.2
2R73: “Crystal structure of the possum milk whey lipocalin trichosurin at pH 8.2”. X-ray diffraction, 8 pockets (best druggability 0.72). MolNFT v1 #50057 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2R73
- Type
- protein
- Length
- 583 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trichosurin
- UniProt
- Q29147
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Trichosurin | protein | 146 | 12% helix, 49% strand | Q29147 |
| B | Trichosurin | protein | 145 | 16% helix, 48% strand | Q29147 |
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.72 | 0.98 | 14 | empty |
| 2 | 55 | 0.72 | 0.98 | 18 | empty |
| 3 | 152 | 0.65 | 0.86 | 24 | empty |
| 4 | 123 | 0.60 | 0.85 | 26 | empty |
| 5 | 154 | 0.55 | 0.81 | 24 | empty |
Interfaces
3 interfaces between chains.
- B–D · 962 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 950 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 202 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q29147
- Elsewhere: RCSB PDB 2R73 · PDBe 2R73 · UniProt Q29147
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