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:	17beta-hydroxysteroid dehydrogenase
ID:	O93874_COCLU
AC:	O93874
Organism:	Cochliobolus lunatus
Reign:	Eukaryota
TaxID:	5503
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	28.846
Number of residues:	35
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:	NAP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.321	546.750

% Hydrophobic	% Polar
66.67	33.33
According to VolSite

HET Code:	HHF
Formula:	C15H9O4
Molecular weight:	253.230 g/mol
DrugBank ID:	-
Buried Surface Area:	76.62 %
Polar Surface area:	69.59 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	1
Rings:	3
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	1

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Mass center Coordinates

X	Y	Z
16.4706	-5.09205	4.76916

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