sc-PDB

List of CHEMBLId :

This value allows a number of roughly comparable measures of half-maximal response concentration/potency/affinity to be compared on a negative logarithmic scale (e.g., an IC50 measurement of 1nM would have a pChEMBL value of 9).

Uniprot Annotation

Name:	Uncharacterized protein
ID:	Q55QV6_CRYNB
AC:	Q55QV6
Organism:	Cryptococcus neoformans var. neoformans serotype D
Reign:	Eukaryota
TaxID:	283643
EC Number:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	4 %
B	96 %

---

Ligand binding site composition:

B-Factor:	27.581
Number of residues:	25
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

---

Cavity properties

Ligandability	Volume (Å3)
0.894	455.625

% Hydrophobic	% Polar
57.78	42.22
According to VolSite

HET Code:	JAN
Formula:	C27H23Cl2N4O
Molecular weight:	490.404 g/mol
DrugBank ID:	DB04960
Buried Surface Area:	35.51 %
Polar Surface area:	65.77 Å2

Number of
H-Bond Acceptors:	2
H-Bond Donors:	1
Rings:	5
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	4

---

Mass center Coordinates

X	Y	Z
36.2272	-36.6331	-5.55091

• 2D View
• 3D View