MolNFT v1 · #50907 · protein

Scytalone dehydratase complexed with tight-binding inhibitor carpropamid

2STD: “Scytalone dehydratase complexed with tight-binding inhibitor carpropamid”. X-ray diffraction, 2 ligands (CRP, SO4), 1 pocket (best druggability 0.85). MolNFT v1 #50907 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

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.

Pocket	Volume (Å³)	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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