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:	Macrophage metalloelastase
ID:	MMP12_HUMAN
AC:	P39900
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	3.4.24.65

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Chains:

Chain Name:	Percentage of Residues within binding site
A	21 %
C	79 %

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Ligand binding site composition:

B-Factor:	4.885
Number of residues:	29
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
0.495	2079.000

% Hydrophobic	% Polar
47.08	52.92
According to VolSite

HET Code:	CGS
Formula:	C18H23N3O5S
Molecular weight:	393.457 g/mol
DrugBank ID:	DB07556
Buried Surface Area:	54.75 %
Polar Surface area:	117.21 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	2
Rings:	2
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
-17.2767	33.2425	-29.7349

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