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:	Chaperone protein ClpB
ID:	CLPB_THET8
AC:	Q9RA63
Organism:	Thermus thermophilus
Reign:	Bacteria
TaxID:	300852
EC Number:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	89 %
B	11 %

---

Ligand binding site composition:

B-Factor:	74.070
Number of residues:	35
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.375	884.250

% Hydrophobic	% Polar
35.50	64.50
According to VolSite

HET Code:	ANP
Formula:	C10H13N6O12P3
Molecular weight:	502.164 g/mol
DrugBank ID:	-
Buried Surface Area:	58.58 %
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

---

Mass center Coordinates

X	Y	Z
74.094	6.58571	15.9109

• 2D View
• 3D View