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:	Formylmethanofuran--tetrahydromethanopterin formyltransferase
ID:	FTR_METKA
AC:	Q49610
Organism:	Methanopyrus kandleri
Reign:	Archaea
TaxID:	190192
EC Number:	2.3.1.101

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Chains:

Chain Name:	Percentage of Residues within binding site
C	40 %
D	60 %

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Ligand binding site composition:

B-Factor:	19.363
Number of residues:	30
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.353	1096.875

% Hydrophobic	% Polar
53.54	46.46
According to VolSite

HET Code:	MFN
Formula:	C35H39N4O16
Molecular weight:	771.701 g/mol
DrugBank ID:	-
Buried Surface Area:	48.69 %
Polar Surface area:	339.41 Å2

Number of
H-Bond Acceptors:	15
H-Bond Donors:	4
Rings:	2
Aromatic rings:	2
Anionic atoms:	5
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	27

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Mass center Coordinates

X	Y	Z
-16.1358	91.2875	50.1772

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