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:	Triosephosphate isomerase
ID:	TPIS_YEAST
AC:	P00942
Organism:	Saccharomyces cerevisiae
Reign:	Eukaryota
TaxID:	559292
EC Number:	5.3.1.1

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Chains:

Chain Name:	Percentage of Residues within binding site
A	92 %
B	8 %

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Ligand binding site composition:

B-Factor:	10.395
Number of residues:	24
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.196	408.375

% Hydrophobic	% Polar
47.11	52.89
According to VolSite

HET Code:	PGH
Formula:	C2H4NO6P
Molecular weight:	169.030 g/mol
DrugBank ID:	DB03026
Buried Surface Area:	61.85 %
Polar Surface area:	131.56 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	2
Rings:	0
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
91.6827	43.283	48.9999

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