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:	V-type ATP synthase alpha chain
ID:	VATA_NANEQ
AC:	Q74MJ7
Organism:	Nanoarchaeum equitans
Reign:	Archaea
TaxID:	228908
EC Number:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	82 %
B	18 %

---

Ligand binding site composition:

B-Factor:	40.477
Number of residues:	41
Including
Standard Amino Acids:	37
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:	MG

---

Cavity properties

Ligandability	Volume (Å3)
0.037	2740.500

% Hydrophobic	% Polar
42.98	57.02
According to VolSite

HET Code:	ANP
Formula:	C10H13N6O12P3
Molecular weight:	502.164 g/mol
DrugBank ID:	-
Buried Surface Area:	67.82 %
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
-19.6116	21.9814	-18.0069

• 2D View
• 3D View