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:	2,7-dihydroxy-5-methyl-1-naphthoate 7-O-methyltransferase
ID:	NCSB1_STRCZ
AC:	Q84HC8
Organism:	Streptomyces carzinostaticus
Reign:	Bacteria
TaxID:	1897
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	96 %
B	4 %

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Ligand binding site composition:

B-Factor:	63.972
Number of residues:	22
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.687	752.625

% Hydrophobic	% Polar
52.47	47.53
According to VolSite

HET Code:	DNA
Formula:	C11H7O4
Molecular weight:	203.171 g/mol
DrugBank ID:	-
Buried Surface Area:	71.57 %
Polar Surface area:	80.59 Å2

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

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Mass center Coordinates

X	Y	Z
-40.541	32.2506	-7.2572

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