MolNFT v1 · #117512 · protein

Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-tebuconazole

5EAB · Lanosterol 14-alpha demethylase: “Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-tebuconazole”. X-ray diffraction, 2 ligands (HEM, TBX), 4 pockets (best druggability 0.87). MolNFT v1 #117512 on…

PDB: 5EAB
Type: protein
Length: 525 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lanosterol 14-alpha demethylase
UniProt: A6ZSR0
Ligands: HEM, TBX
Pockets: 4 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lanosterol 14-alpha demethylase	protein	525	51% helix, 10% strand	A6ZSR0

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
TBX · (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	919	0.87	0.88	80	HEM, TBX
2	205	0.58	0.80	39	empty
3	251	0.57	0.77	32	empty
4	126	0.45	0.77	21	empty

Compared structures

5EAB · Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-tebuconazole · the same entry in another collection · chain A against A, TM-score 1.00

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 A6ZSR0
Elsewhere: RCSB PDB 5EAB · PDBe 5EAB · UniProt A6ZSR0

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