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:	Cytochrome c-type protein
ID:	Q72EF4_DESVH
AC:	Q72EF4
Organism:	Desulfovibrio vulgaris
Reign:	Bacteria
TaxID:	882
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
C	100 %

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Ligand binding site composition:

B-Factor:	24.801
Number of residues:	22
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.112	300.375

% Hydrophobic	% Polar
52.81	47.19
According to VolSite

HET Code:	HQO
Formula:	C16H21NO2
Molecular weight:	259.343 g/mol
DrugBank ID:	DB07918
Buried Surface Area:	58.06 %
Polar Surface area:	45.69 Å2

Number of
H-Bond Acceptors:	2
H-Bond Donors:	1
Rings:	2
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
36.8988	2.666	-14.6019

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