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:	Predicted molecular chaperone distantly related to HSP70-fold metalloproteases
ID:	Q8TX37_METKA
AC:	Q8TX37
Organism:	Methanopyrus kandleri
Reign:	Archaea
TaxID:	190192
EC Number:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	96 %
C	4 %

---

Ligand binding site composition:

B-Factor:	29.383
Number of residues:	29
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.643	999.000

% Hydrophobic	% Polar
32.09	67.91
According to VolSite

HET Code:	ADP
Formula:	C10H12N5O10P2
Molecular weight:	424.177 g/mol
DrugBank ID:	-
Buried Surface Area:	49.06 %
Polar Surface area:	260.7 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

---

Mass center Coordinates

X	Y	Z
-1.8463	-6.49674	22.769

• 2D View
• 3D View