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:	Putative ketoacyl reductase
ID:	ACT3_STRCO
AC:	P16544
Organism:	Streptomyces coelicolor / M145)
Reign:	Bacteria
TaxID:	100226
EC Number:	1.3.1

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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:	38.194
Number of residues:	23
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:	NDP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.445	783.000

% Hydrophobic	% Polar
54.31	45.69
According to VolSite

HET Code:	EMO
Formula:	C15H8O5
Molecular weight:	268.221 g/mol
DrugBank ID:	DB07715
Buried Surface Area:	65.85 %
Polar Surface area:	100.49 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	1
Rings:	3
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	0

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Mass center Coordinates

X	Y	Z
129.216	46.5287	-111.264

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