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:	Isocitrate dehydrogenase [NADP]
ID:	IDH_ECOLI
AC:	P08200
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	1.1.1.42

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	28.341
Number of residues:	43
Including
Standard Amino Acids:	37
Non Standard Amino Acids:	1
Water Molecules:	5
Cofactors:
Metals:	MG

---

Cavity properties

Ligandability	Volume (Å3)
1.037	411.750

% Hydrophobic	% Polar
57.38	42.62
According to VolSite

HET Code:	TAP
Formula:	C21H25N7O16P3S
Molecular weight:	756.447 g/mol
DrugBank ID:	DB01763
Buried Surface Area:	39.68 %
Polar Surface area:	420.56 Å2

Number of
H-Bond Acceptors:	21
H-Bond Donors:	5
Rings:	5
Aromatic rings:	3
Anionic atoms:	4
Cationic atoms:	1
Rule of Five Violation:	2
Rotatable Bonds:	13

---

Mass center Coordinates

X	Y	Z
-36.3027	-11.6848	3.75875

• 2D View
• 3D View