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S. cerevisiae CYP51 Y140H mutant complexed with voriconazole

Analyse S. cerevisiae CYP51 Y140H mutant complexed with voriconazole in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7RY8
Type: protein
Length: 527 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lanosterol 14-alpha demethylase
UniProt: A6ZSR0
Ligands: HEM, VOR, BGC
Pockets: 4 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lanosterol 14-alpha demethylase	protein	527	52% helix, 11% strand	A6ZSR0

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
VOR · Voriconazole · ligand · chains A
BGC · beta-D-glucopyranose · sugar · chains A
1PE · Pentaethylene glycol · additive · 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	910	0.87	0.88	79	HEM, VOR
2	261	0.60	0.79	32	empty
3	197	0.57	0.80	37	empty
4	123	0.46	0.78	23	empty

Compared structures

7RY8 · S. CEREVISIAE CYP51 Y140H mutant COMPLEXED WITH Voriconazole · 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 7RY8 · PDBe 7RY8 · UniProt A6ZSR0

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