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:	Penicillin-binding protein 2x
ID:	PBPX_STRPN
AC:	P14677
Organism:	Streptococcus pneumoniae serotype 4
Reign:	Bacteria
TaxID:	170187
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	48.298
Number of residues:	28
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.183	1063.125

% Hydrophobic	% Polar
44.13	55.87
According to VolSite

HET Code:	KEF
Formula:	C16H15N4O8S
Molecular weight:	423.377 g/mol
DrugBank ID:	-
Buried Surface Area:	40.91 %
Polar Surface area:	201.89 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	2
Rings:	3
Aromatic rings:	1
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
103.81	61.8887	49.4971

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