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:	Coenzyme F420:L-glutamate ligase
ID:	FBIB_MYCTU
AC:	P9WP79
Organism:	Mycobacterium tuberculosis
Reign:	Bacteria
TaxID:	83332
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	24 %
B	76 %

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Ligand binding site composition:

B-Factor:	28.714
Number of residues:	34
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.288	1231.875

% Hydrophobic	% Polar
48.22	51.78
According to VolSite

HET Code:	F42
Formula:	C29H32N5O18P
Molecular weight:	769.561 g/mol
DrugBank ID:	DB03913
Buried Surface Area:	55.08 %
Polar Surface area:	389.68 Å2

Number of
H-Bond Acceptors:	20
H-Bond Donors:	7
Rings:	3
Aromatic rings:	1
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	3
Rotatable Bonds:	20

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Mass center Coordinates

X	Y	Z
47.1552	17.1206	43.0165

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