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:	Propionyl-CoA carboxylase complex B subunit
ID:	Q9X4K7_STRCH
AC:	Q9X4K7
Organism:	Streptomyces coelicolor
Reign:	Bacteria
TaxID:	1902
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	36.682
Number of residues:	46
Including
Standard Amino Acids:	42
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.326	857.250

% Hydrophobic	% Polar
44.49	55.51
According to VolSite

HET Code:	191
Formula:	C24H37N7O17P3S
Molecular weight:	820.574 g/mol
DrugBank ID:	-
Buried Surface Area:	47.51 %
Polar Surface area:	431.53 Å2

Number of
H-Bond Acceptors:	21
H-Bond Donors:	6
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	1
Rule of Five Violation:	3
Rotatable Bonds:	21

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Mass center Coordinates

X	Y	Z
47.1712	-112.727	-123.115

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