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:	Mandelate racemase
ID:	MANR_PSEPU
AC:	P11444
Organism:	Pseudomonas putida
Reign:	Bacteria
TaxID:	303
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

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Ligand binding site composition:

B-Factor:	14.037
Number of residues:	26
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:	MG

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Cavity properties

Ligandability	Volume (Å3)
0.599	334.125

% Hydrophobic	% Polar
54.55	45.45
According to VolSite

HET Code:	APG
Formula:	C9H9O3
Molecular weight:	165.166 g/mol
DrugBank ID:	DB07381
Buried Surface Area:	74.32 %
Polar Surface area:	60.36 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	1
Rings:	1
Aromatic rings:	1
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
30.8076	4.7475	17.5957

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