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:	Putative HMP/thiamine-binding protein YkoF
ID:	YKOF_BACSU
AC:	O34911
Organism:	Bacillus subtilis
Reign:	Bacteria
TaxID:	224308
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	81 %
B	19 %

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Ligand binding site composition:

B-Factor:	57.136
Number of residues:	28
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.274	492.750

% Hydrophobic	% Polar
52.05	47.95
According to VolSite

HET Code:	VIB
Formula:	C12H17N4OS
Molecular weight:	265.355 g/mol
DrugBank ID:	DB00152
Buried Surface Area:	59.77 %
Polar Surface area:	104.15 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	2
Rings:	2
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
-7.49606	38.8372	20.47

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