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
A	87 %
B	9 %
C	4 %

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Ligand binding site composition:

B-Factor:	26.097
Number of residues:	24
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.544	378.000

% Hydrophobic	% Polar
76.79	23.21
According to VolSite

HET Code:	MST
Formula:	C10H19N5S
Molecular weight:	241.356 g/mol
DrugBank ID:	DB08215
Buried Surface Area:	65.9 %
Polar Surface area:	88.03 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	2
Rings:	1
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
99.1426	27.1147	78.9697

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