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:	DdmC
ID:	Q5S3I3_STEMA
AC:	Q5S3I3
Organism:	Stenotrophomonas maltophilia
Reign:	Bacteria
TaxID:	40324
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	43.733
Number of residues:	29
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.492	506.250

% Hydrophobic	% Polar
61.33	38.67
According to VolSite

HET Code:	D3M
Formula:	C8H5Cl2O3
Molecular weight:	220.030 g/mol
DrugBank ID:	-
Buried Surface Area:	60.28 %
Polar Surface area:	49.36 Å2

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

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Mass center Coordinates

X	Y	Z
-55.2114	-50.9282	5.60754

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