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:	Glycerol-3-phosphate dehydrogenase [NAD(+)], glycosomal
ID:	GPDA_LEIME
AC:	P90551
Organism:	Leishmania mexicana
Reign:	Eukaryota
TaxID:	5665
EC Number:	1.1.1.8

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Chains:

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

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Ligand binding site composition:

B-Factor:	47.745
Number of residues:	8
Including
Standard Amino Acids:	8
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.048	313.875

% Hydrophobic	% Polar
68.82	31.18
According to VolSite

HET Code:	BOA
Formula:	C5H3BrN4O
Molecular weight:	215.008 g/mol
DrugBank ID:	DB04283
Buried Surface Area:	34.66 %
Polar Surface area:	74.69 Å2

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

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Mass center Coordinates

X	Y	Z
34.2224	54.7654	30.1223

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