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:	Transcription termination factor Rho
ID:	RHO_ECOLI
AC:	P0AG30
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	3.6.4

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Chains:

Chain Name:	Percentage of Residues within binding site
E	17 %
F	83 %

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Ligand binding site composition:

B-Factor:	53.185
Number of residues:	29
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.138	587.250

% Hydrophobic	% Polar
51.15	48.85
According to VolSite

HET Code:	ANP
Formula:	C10H13N6O12P3
Molecular weight:	502.164 g/mol
DrugBank ID:	-
Buried Surface Area:	42.94 %
Polar Surface area:	322.68 Å2

Number of
H-Bond Acceptors:	16
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
48.2843	-6.19919	48.2324

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