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:	3-hydroxy-3-methylglutaryl-coenzyme A reductase
ID:	MVAA_PSEMV
AC:	P13702
Organism:	Pseudomonas mevalonii
Reign:	Bacteria
TaxID:	32044
EC Number:	1.1.1.88

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Chains:

Chain Name:	Percentage of Residues within binding site
A	71 %
B	29 %

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Ligand binding site composition:

B-Factor:	27.291
Number of residues:	24
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:	NAD
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.733	445.500

% Hydrophobic	% Polar
56.06	43.94
According to VolSite

HET Code:	MEV
Formula:	C6H11O4
Molecular weight:	147.149 g/mol
DrugBank ID:	DB03518
Buried Surface Area:	74.52 %
Polar Surface area:	80.59 Å2

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

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Mass center Coordinates

X	Y	Z
85.8527	125.476	108.867

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