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:	5-formyltetrahydrofolate cyclo-ligase
ID:	MTHFS_HUMAN
AC:	P49914
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	6.3.3.2

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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:	31.525
Number of residues:	28
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.398	702.000

% Hydrophobic	% Polar
50.96	49.04
According to VolSite

HET Code:	N5G
Formula:	C20H36N7O10P
Molecular weight:	565.514 g/mol
DrugBank ID:	-
Buried Surface Area:	40.7 %
Polar Surface area:	298.36 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	7
Rings:	3
Aromatic rings:	0
Anionic atoms:	4
Cationic atoms:	2
Rule of Five Violation:	3
Rotatable Bonds:	12

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Mass center Coordinates

X	Y	Z
-6.30768	14.2498	10.9075

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