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:	6,7-dimethyl-8-ribityllumazine synthase
ID:	RISB_MYCTU
AC:	P9WHE9
Organism:	Mycobacterium tuberculosis
Reign:	Bacteria
TaxID:	83332
EC Number:	2.5.1.78

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Chains:

Chain Name:	Percentage of Residues within binding site
D	65 %
E	35 %

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Ligand binding site composition:

B-Factor:	38.634
Number of residues:	35
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.583	583.875

% Hydrophobic	% Polar
46.82	53.18
According to VolSite

HET Code:	Y19
Formula:	C12H21N4O7
Molecular weight:	333.318 g/mol
DrugBank ID:	-
Buried Surface Area:	72.8 %
Polar Surface area:	182.18 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	8
Rings:	1
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	2
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
-18.7039	1.2207	2.79448

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