Research workbench
Scytalone dehydratase complexed with tight-binding inhibitor carpropamid
Analyse Scytalone dehydratase complexed with tight-binding inhibitor carpropamid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2STD
- Type
- protein
- Length
- 162 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Scytalone dehydratase
- EC
- 4.2.1.94
- UniProt
- P56221
- Ligands
- CRP, SO4
- Pockets
- 1 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Scytalone dehydratase (EC 4.2.1.94) | protein | 162 | 30% helix, 46% strand | P56221 |
Ligands and binding sites
- CRP · ((1rs,3sr)-2,2-dichloro-N-[(R)-1-(4-chlorophenyl) ethyl]-1-ethyl-3-methylcyclopropanecarboxamide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 194 | 0.85 | 0.97 | 27 | CRP |
Compared structures
- 2STD · Scytalone dehydratase complexed with tight-binding inhibitor carpropamid · the same entry in another collection · chain A against A, TM-score 1.00
- P56221 · AlphaFold monomer V2.0 prediction for scytalone dehydratase (P56221) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P56221
- Elsewhere: RCSB PDB 2STD · PDBe 2STD · UniProt P56221
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