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 secreted protein
ID:	C9Z6T8_STRSW
AC:	C9Z6T8
Organism:	Streptomyces scabiei
Reign:	Bacteria
TaxID:	680198
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:	30.382
Number of residues:	28
Including
Standard Amino Acids:	25
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.347	374.625

% Hydrophobic	% Polar
44.14	55.86
According to VolSite

HET Code:	P34
Formula:	C17H18N3O2
Molecular weight:	296.344 g/mol
DrugBank ID:	DB08348
Buried Surface Area:	58.92 %
Polar Surface area:	62.64 Å2

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

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Mass center Coordinates

X	Y	Z
23.3112	33.071	20.6642

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