MolNFT v1 · #34900 · protein
Crystal structure of MS0616
2DUK: “Crystal structure of MS0616”. X-ray diffraction, 3 pockets (best druggability 0.56). MolNFT v1 #34900 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2DUK
- Type
- protein
- Length
- 270 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MS0616
- EC
- 3.6.1.52, 3.6.1.-
- UniProt
- Q8R2U6
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MS0616 (EC 3.6.1.52, 3.6.1.-) | protein | 138 | 23% helix, 38% strand | Q8R2U6 |
| B | MS0616 (EC 3.6.1.52, 3.6.1.-) | protein | 132 | 20% helix, 40% strand | Q8R2U6 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 188 | 0.56 | 0.80 | 35 | empty |
| 2 | 150 | 0.46 | 0.76 | 19 | empty |
| 3 | 103 | 0.42 | 0.78 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 330 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 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 Q8R2U6
- Elsewhere: RCSB PDB 2DUK · PDBe 2DUK · UniProt Q8R2U6
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