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:	Putative pyridoxamine 5-phosphate-dependent dehydrase
ID:	Q9F118_ECOLX
AC:	Q9F118
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	562
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	9 %
B	91 %

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Ligand binding site composition:

B-Factor:	23.169
Number of residues:	33
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.180	671.625

% Hydrophobic	% Polar
47.74	52.26
According to VolSite

HET Code:	P0P
Formula:	C8H10NO7P
Molecular weight:	263.141 g/mol
DrugBank ID:	-
Buried Surface Area:	73.19 %
Polar Surface area:	155.81 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	3
Rings:	1
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
18.9945	9.89159	19.748

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