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:	Protein polybromo-1
ID:	PB1_HUMAN
AC:	Q86U86
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	22 %
B	78 %

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Ligand binding site composition:

B-Factor:	21.304
Number of residues:	29
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.498	1204.875

% Hydrophobic	% Polar
59.94	40.06
According to VolSite

HET Code:	LU2
Formula:	C15H9O6
Molecular weight:	285.228 g/mol
DrugBank ID:	-
Buried Surface Area:	70.4 %
Polar Surface area:	110.05 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	1

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Mass center Coordinates

X	Y	Z
9.15524	-23.727	-28.6408

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