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:	2,3-diketo-5-methylthiopentyl-1-phosphate enolase
ID:	MTNW_GEOKA
AC:	Q5L1E2
Organism:	Geobacillus kaustophilus
Reign:	Bacteria
TaxID:	235909
EC Number:	5.3.2.5

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Chains:

Chain Name:	Percentage of Residues within binding site
A	6 %
B	94 %

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Ligand binding site composition:

B-Factor:	17.990
Number of residues:	17
Including
Standard Amino Acids:	14
Non Standard Amino Acids:	2
Water Molecules:	1
Cofactors:
Metals:	MG

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Cavity properties

Ligandability	Volume (Å3)
0.128	715.500

% Hydrophobic	% Polar
41.98	58.02
According to VolSite

HET Code:	1AE
Formula:	C6H9O6P
Molecular weight:	208.106 g/mol
DrugBank ID:	DB06881
Buried Surface Area:	40.3 %
Polar Surface area:	119.53 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	1
Rings:	0
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
28.065	-23.4017	-19.8118

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