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:	Poly [ADP-ribose] polymerase 1
ID:	PARP1_CHICK
AC:	P26446
Organism:	Gallus gallus
Reign:	Eukaryota
TaxID:	9031
EC Number:	2.4.2.30

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

---

Ligand binding site composition:

B-Factor:	44.017
Number of residues:	24
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.825	837.000

% Hydrophobic	% Polar
43.95	56.05
According to VolSite

HET Code:	CNA
Formula:	C22H28N7O13P2
Molecular weight:	660.444 g/mol
DrugBank ID:	DB02498
Buried Surface Area:	42.89 %
Polar Surface area:	334.31 Å2

Number of
H-Bond Acceptors:	17
H-Bond Donors:	6
Rings:	5
Aromatic rings:	3
Anionic atoms:	2
Cationic atoms:	1
Rule of Five Violation:	3
Rotatable Bonds:	11

---

Mass center Coordinates

X	Y	Z
36.2627	16.0725	23.5562

• 2D View
• 3D View