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_BLAVI
AC:	P06009
Organism:	Blastochloris viridis
Reign:	Bacteria
TaxID:	1079
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
H	4 %
L	92 %
M	4 %

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Ligand binding site composition:

B-Factor:	23.303
Number of residues:	28
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	2
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.406	330.750

% Hydrophobic	% Polar
72.45	27.55
According to VolSite

HET Code:	MST
Formula:	C10H19N5S
Molecular weight:	241.356 g/mol
DrugBank ID:	DB08215
Buried Surface Area:	66.54 %
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
131.425	69.3562	-3.47269

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