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:	3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
ID:	FABA_PSEAE
AC:	O33877
Organism:	Pseudomonas aeruginosa
Reign:	Bacteria
TaxID:	208964
EC Number:	4.2.1.59

---

Chains:

Chain Name:	Percentage of Residues within binding site
K	5 %
O	59 %
P	36 %

---

Ligand binding site composition:

B-Factor:	52.530
Number of residues:	24
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
1.065	880.875

% Hydrophobic	% Polar
56.70	43.30
According to VolSite

HET Code:	3MQ
Formula:	C8H7NO2S
Molecular weight:	181.212 g/mol
DrugBank ID:	-
Buried Surface Area:	72.15 %
Polar Surface area:	74.5 Å2

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

---

Mass center Coordinates

X	Y	Z
5.27683	18.8637	208.043

• 2D View
• 3D View