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:	4-hydroxyphenylacetate 3-monooxygenase
ID:	Q8YHT7_BRUME
AC:	Q8YHT7
Organism:	Brucella melitensis biotype 1
Reign:	Bacteria
TaxID:	224914
EC Number:	/

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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:	17.843
Number of residues:	17
Including
Standard Amino Acids:	16
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:	FAD
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.678	398.250

% Hydrophobic	% Polar
44.92	55.08
According to VolSite

HET Code:	FAD
Formula:	C27H31N9O15P2
Molecular weight:	783.534 g/mol
DrugBank ID:	DB03147
Buried Surface Area:	35.44 %
Polar Surface area:	381.7 Å2

Number of
H-Bond Acceptors:	22
H-Bond Donors:	7
Rings:	6
Aromatic rings:	3
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	3
Rotatable Bonds:	13

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Mass center Coordinates

X	Y	Z
-12.7392	-37.01	5.78228

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