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:	Prothrombin
ID:	THRB_HUMAN
AC:	P00734
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	3.4.21.5

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Chains:

Chain Name:	Percentage of Residues within binding site
H	100 %

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Ligand binding site composition:

B-Factor:	22.275
Number of residues:	34
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.662	570.375

% Hydrophobic	% Polar
44.38	55.62
According to VolSite

HET Code:	2FN
Formula:	C32H43ClN3O10S
Molecular weight:	697.216 g/mol
DrugBank ID:	-
Buried Surface Area:	48.54 %
Polar Surface area:	205.64 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	6
Rings:	5
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	3
Rotatable Bonds:	14

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Mass center Coordinates

X	Y	Z
12.8278	20.0702	10.9366

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