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:	Aminomethyltransferase
ID:	GCST_ECOLI
AC:	P27248
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	2.1.2.10

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Chains:

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

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Ligand binding site composition:

B-Factor:	18.909
Number of residues:	33
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.004	786.375

% Hydrophobic	% Polar
54.51	45.49
According to VolSite

HET Code:	C2F
Formula:	C20H23N7O6
Molecular weight:	457.440 g/mol
DrugBank ID:	-
Buried Surface Area:	59.47 %
Polar Surface area:	204.14 Å2

Number of
H-Bond Acceptors:	11
H-Bond Donors:	5
Rings:	3
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	9

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Mass center Coordinates

X	Y	Z
7.50945	13.5447	41.517

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