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:	Phosphoenolpyruvate carboxykinase [GTP]
ID:	PCKG_MYCTA
AC:	A5TYT6
Organism:	Mycobacterium tuberculosis
Reign:	Bacteria
TaxID:	419947
EC Number:	/

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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:	40.665
Number of residues:	26
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	2
Water Molecules:	1
Cofactors:
Metals:	MN MN

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Cavity properties

Ligandability	Volume (Å3)
0.271	924.750

% Hydrophobic	% Polar
35.77	64.23
According to VolSite

HET Code:	GDP
Formula:	C10H12N5O11P2
Molecular weight:	440.177 g/mol
DrugBank ID:	DB04315
Buried Surface Area:	59.07 %
Polar Surface area:	276.39 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	4
Rings:	3
Aromatic rings:	1
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
39.3929	11.1799	35.4852

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