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:	Uncharacterized protein
ID:	Q8KRB7_STRCL
AC:	Q8KRB7
Organism:	Streptomyces clavuligerus
Reign:	Bacteria
TaxID:	1901
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
B	100 %

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Ligand binding site composition:

B-Factor:	17.499
Number of residues:	33
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	5
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.393	995.625

% Hydrophobic	% Polar
52.88	47.12
According to VolSite

HET Code:	J01
Formula:	C8H8NO5
Molecular weight:	198.153 g/mol
DrugBank ID:	DB00766
Buried Surface Area:	65.2 %
Polar Surface area:	89.9 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	1
Rings:	2
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
-12.0178	42.6019	55.482

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