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:	Pyrroloquinoline-quinone synthase
ID:	PQQC_KLEP7
AC:	A6T9H1
Organism:	Klebsiella pneumoniae subsp. pneumoniae
Reign:	Bacteria
TaxID:	272620
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:	44.196
Number of residues:	27
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.693	1100.250

% Hydrophobic	% Polar
40.18	59.82
According to VolSite

HET Code:	PQQ
Formula:	C14H3N2O8
Molecular weight:	327.182 g/mol
DrugBank ID:	DB03205
Buried Surface Area:	62.46 %
Polar Surface area:	183.21 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	1
Rings:	3
Aromatic rings:	2
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
-7.3695	42.725	33.1367

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