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:	Reaction center protein L chain
ID:	RCEL_RHOSH
AC:	P0C0Y8
Organism:	Rhodobacter sphaeroides
Reign:	Bacteria
TaxID:	1063
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
H	4 %
L	88 %
M	8 %

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Ligand binding site composition:

B-Factor:	25.733
Number of residues:	28
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.485	391.500

% Hydrophobic	% Polar
73.28	26.72
According to VolSite

HET Code:	UQ1
Formula:	C14H18O4
Molecular weight:	250.290 g/mol
DrugBank ID:	DB08689
Buried Surface Area:	66.89 %
Polar Surface area:	52.6 Å2

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

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Mass center Coordinates

X	Y	Z
-1.65394	28.3773	-40.8061

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