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-diphosphocytidyl-2-C-methyl-D-erythritol kinase
ID:	B1MKD5_MYCA9
AC:	B1MKD5
Organism:	Mycobacterium abscessus
Reign:	Bacteria
TaxID:	561007
EC Number:	/

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	14.976
Number of residues:	22
Including
Standard Amino Acids:	20
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	ATP
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.836	506.250

% Hydrophobic	% Polar
42.00	58.00
According to VolSite

HET Code:	C5P
Formula:	C9H12N3O8P
Molecular weight:	321.181 g/mol
DrugBank ID:	DB03403
Buried Surface Area:	56.54 %
Polar Surface area:	190.61 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	3
Rings:	2
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	4

---

Mass center Coordinates

X	Y	Z
-19.4562	14.8615	-6.91714

• 2D View
• 3D View