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:	Di-tripeptide ABC transporter (Permease)
ID:	Q5KYD1_GEOKA
AC:	Q5KYD1
Organism:	Geobacillus kaustophilus
Reign:	Bacteria
TaxID:	235909
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:	38.288
Number of residues:	22
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.120	1437.750

% Hydrophobic	% Polar
41.08	58.92
According to VolSite

HET Code:	AFS
Formula:	C5H12N2O4P
Molecular weight:	195.134 g/mol
DrugBank ID:	-
Buried Surface Area:	55.31 %
Polar Surface area:	129.74 Å2

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

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Mass center Coordinates

X	Y	Z
15.6181	14.7022	2.30775

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