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:	4-hydroxy-3-methylbut-2-enyl diphosphate reductase
ID:	ISPH_ECOLI
AC:	P62623
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	/

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	11.796
Number of residues:	36
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.748	405.000

% Hydrophobic	% Polar
44.17	55.83
According to VolSite

HET Code:	10E
Formula:	C5H11NO7P2
Molecular weight:	259.091 g/mol
DrugBank ID:	-
Buried Surface Area:	78.43 %
Polar Surface area:	169.04 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	1
Rings:	0
Aromatic rings:	0
Anionic atoms:	3
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	6

---

Mass center Coordinates

X	Y	Z
-38.9845	-0.634667	15.6824

• 2D View
• 3D View