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:	Dihydroneopterin aldolase
ID:	FOLB_MYCTU
AC:	P9WNC5
Organism:	Mycobacterium tuberculosis
Reign:	Bacteria
TaxID:	83332
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
B	59 %
C	41 %

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Ligand binding site composition:

B-Factor:	37.083
Number of residues:	23
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.732	340.875

% Hydrophobic	% Polar
59.41	40.59
According to VolSite

HET Code:	PH2
Formula:	C7H9N5O2
Molecular weight:	195.179 g/mol
DrugBank ID:	DB02119
Buried Surface Area:	78.1 %
Polar Surface area:	112.1 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	4
Rings:	2
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	1

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Mass center Coordinates

X	Y	Z
3.81014	23.1967	29.1773

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