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
L	91 %
M	4 %
H	4 %

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Ligand binding site composition:

B-Factor:	16.623
Number of residues:	27
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	2
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.247	330.750

% Hydrophobic	% Polar
69.39	30.61
According to VolSite

HET Code:	CET
Formula:	C10H15ClN6
Molecular weight:	254.719 g/mol
DrugBank ID:	DB07552
Buried Surface Area:	65.31 %
Polar Surface area:	86.52 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
131.441	68.8399	-3.71094

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