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:	Mannosyl-3-phosphoglycerate synthase
ID:	MPGS_PYRHO
AC:	O58689
Organism:	Pyrococcus horikoshii
Reign:	Archaea
TaxID:	70601
EC Number:	2.4.1.217

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Chains:

Chain Name:	Percentage of Residues within binding site
A	0 %
B	100 %

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Ligand binding site composition:

B-Factor:	33.820
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)
0.985	1046.250

% Hydrophobic	% Polar
45.48	54.52
According to VolSite

HET Code:	GDP
Formula:	C10H12N5O11P2
Molecular weight:	440.177 g/mol
DrugBank ID:	DB04315
Buried Surface Area:	65.92 %
Polar Surface area:	276.39 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	4
Rings:	3
Aromatic rings:	1
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
-3.40964	-0.7895	2.51296

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