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S. cerevisiae CYP51 complexed with fluconazole in the active site

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

PDB: 4WMZ
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, TPF
Pockets: 6 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lanosterol 14-alpha demethylase	protein	527	53% helix, 10% strand	A6ZSR0

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
TPF · 2-(2,4-difluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-ol · ligand · chains A

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

Pockets

6 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	833	0.87	0.89	82	HEM, TPF
2	231	0.57	0.78	30	empty
3	211	0.56	0.79	35	empty
4	134	0.46	0.77	22	empty
5	52	0.35	0.79	12	empty

Compared structures

4WMZ · S. cerevisiae CYP51 complexed with fluconazole in the active site · 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 4WMZ · PDBe 4WMZ · UniProt A6ZSR0

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