MolNFT v1 · #53710 · protein
Crystal structure of sclerotinia sclerotiorum agglutinin ssa
2X2S: “Crystal structure of sclerotinia sclerotiorum agglutinin ssa”. X-ray diffraction, 2 pockets (best druggability 0.45). MolNFT v1 #53710 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2X2S
- Type
- protein
- Length
- 602 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Agglutinin
- UniProt
- A7XUK7
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · 3 distinct chains · 12% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Agglutinin | protein | 150 | 12% helix, 41% strand | A7XUK7 |
| B, D | Agglutinin | protein | 152 | 12% helix, 40% strand | A7XUK7 |
| C | Agglutinin | protein | 148 | 12% helix, 42% strand | A7XUK7 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.45 | 0.78 | 21 | empty |
| 2 | 109 | 0.42 | 0.77 | 25 | empty |
Interfaces
3 interfaces between chains.
- A–B · 834 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 820 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 341 Ų buried · 7 hydrogen bonds · protein-protein
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 A7XUK7
- Elsewhere: RCSB PDB 2X2S · PDBe 2X2S · UniProt A7XUK7
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