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 1
ID:	RISB1_BRUAB
AC:	Q57DY1
Organism:	Brucella abortus biovar 1
Reign:	Bacteria
TaxID:	262698
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	63 %
E	37 %

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Ligand binding site composition:

B-Factor:	30.889
Number of residues:	31
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.051	489.375

% Hydrophobic	% Polar
67.59	32.41
According to VolSite

HET Code:	INI
Formula:	C9H14N4O8
Molecular weight:	306.229 g/mol
DrugBank ID:	DB04162
Buried Surface Area:	81.37 %
Polar Surface area:	196.96 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	7
Rings:	1
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	2
Rotatable Bonds:	7

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Mass center Coordinates

X	Y	Z
98.2839	59.4756	-91.6808

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