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:	Putative cytochrome P450
ID:	Q70KH6_9ACTN
AC:	Q70KH6
Organism:	Streptomyces thioluteus
Reign:	Bacteria
TaxID:	66431
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:	25.063
Number of residues:	28
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.292	1549.125

% Hydrophobic	% Polar
61.66	38.34
According to VolSite

HET Code:	P3Z
Formula:	C15H16N2O2
Molecular weight:	256.300 g/mol
DrugBank ID:	-
Buried Surface Area:	59.69 %
Polar Surface area:	55.24 Å2

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

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Mass center Coordinates

X	Y	Z
22.7623	12.1187	43.5925

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