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:	Isovaleryl-CoA dehydrogenase, mitochondrial
ID:	IVD_HUMAN
AC:	P26440
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	1.3.8.4

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Chains:

Chain Name:	Percentage of Residues within binding site
A	3 %
B	97 %

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Ligand binding site composition:

B-Factor:	10.091
Number of residues:	41
Including
Standard Amino Acids:	37
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:	FAD
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.816	448.875

% Hydrophobic	% Polar
60.15	39.85
According to VolSite

HET Code:	COS
Formula:	C21H32N7O16P3S2
Molecular weight:	795.567 g/mol
DrugBank ID:	DB04036
Buried Surface Area:	52.6 %
Polar Surface area:	451.41 Å2

Number of
H-Bond Acceptors:	22
H-Bond Donors:	6
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	3
Rotatable Bonds:	19

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Mass center Coordinates

X	Y	Z
16.1718	68.4465	-45.6586

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