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:	Vitamin B12-dependent ribonucleotide reductase
ID:	O33839_THEMT
AC:	O33839
Organism:	Thermotoga maritima
Reign:	Bacteria
TaxID:	2336
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
C	28 %
D	72 %

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Ligand binding site composition:

B-Factor:	28.510
Number of residues:	34
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.582	337.500

% Hydrophobic	% Polar
56.00	44.00
According to VolSite

HET Code:	DTP
Formula:	C10H12N5O12P3
Molecular weight:	487.150 g/mol
DrugBank ID:	DB03222
Buried Surface Area:	63.05 %
Polar Surface area:	299.64 Å2

Number of
H-Bond Acceptors:	16
H-Bond Donors:	2
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
51.4444	52.097	-49.5604

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