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:	Glyceraldehyde-3-phosphate dehydrogenase
ID:	Q2YRE0_BRUA2
AC:	Q2YRE0
Organism:	Brucella abortus
Reign:	Bacteria
TaxID:	359391
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	9 %
B	91 %

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Ligand binding site composition:

B-Factor:	21.659
Number of residues:	51
Including
Standard Amino Acids:	47
Non Standard Amino Acids:	0
Water Molecules:	4
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.198	1015.875

% Hydrophobic	% Polar
37.87	62.13
According to VolSite

HET Code:	NAD
Formula:	C21H26N7O14P2
Molecular weight:	662.417 g/mol
DrugBank ID:	-
Buried Surface Area:	56.56 %
Polar Surface area:	343.54 Å2

Number of
H-Bond Acceptors:	18
H-Bond Donors:	6
Rings:	5
Aromatic rings:	3
Anionic atoms:	2
Cationic atoms:	1
Rule of Five Violation:	3
Rotatable Bonds:	11

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Mass center Coordinates

X	Y	Z
3.80014	10.5906	28.2575

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