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Crystal structure of scytalone dehydratase: a disease determinant of the rice pathogen, magnaporthe grisea

Analyse Crystal structure of scytalone dehydratase: a disease determinant of the rice… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1STD
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
BFS, SO4
Pockets
1 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AScytalone dehydratase (EC 4.2.1.94)protein16231% helix, 43% strandP56221

Ligands and binding sites

  • BFS · N-[1-(4-bromophenyl)ethyl]-5-fluoro salicylamide · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11860.830.9727BFS

Compared structures

  • 1STD · Crystal structure of scytalone dehydratase: a disease determinant of the rice pathogen… · 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

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