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:	Major histocompatibility complex class I-related gene protein
ID:	HMR1_HUMAN
AC:	Q95460
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	83 %
G	10 %
H	7 %

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Ligand binding site composition:

B-Factor:	18.536
Number of residues:	32
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.376	705.375

% Hydrophobic	% Polar
47.37	52.63
According to VolSite

HET Code:	1VY
Formula:	C12H16N4O7
Molecular weight:	328.278 g/mol
DrugBank ID:	-
Buried Surface Area:	78.46 %
Polar Surface area:	175.27 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	6
Rings:	2
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
-90.5067	65.4805	94.8767

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