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:	Serralysin
ID:	APRA_PSEAE
AC:	Q03023
Organism:	Pseudomonas aeruginosa
Reign:	Bacteria
TaxID:	208964
EC Number:	3.4.24.40

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Chains:

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

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Ligand binding site composition:

B-Factor:	23.450
Number of residues:	29
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
0.486	725.625

% Hydrophobic	% Polar
34.88	65.12
According to VolSite

HET Code:	GLY_SER_ASN_SER
Formula:	C12H21N5O8
Molecular weight:	363.324 g/mol
DrugBank ID:	-
Buried Surface Area:	53.06 %
Polar Surface area:	238.61 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	7
Rings:	0
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	2
Rotatable Bonds:	11

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Mass center Coordinates

X	Y	Z
-12.858	28.272	-24.0953

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