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:	Deacetoxycephalosporin C synthase
ID:	CEFE_STRC2
AC:	P18548
Organism:	Streptomyces clavuligerus
Reign:	Bacteria
TaxID:	443255
EC Number:	1.14.20.1

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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:	31.640
Number of residues:	24
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	FE2

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Cavity properties

Ligandability	Volume (Å3)
0.565	752.625

% Hydrophobic	% Polar
54.71	45.29
According to VolSite

HET Code:	PNN
Formula:	C16H17N2O4S
Molecular weight:	333.382 g/mol
DrugBank ID:	DB01053
Buried Surface Area:	61.59 %
Polar Surface area:	114.84 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	1
Rings:	3
Aromatic rings:	1
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
5.19317	15.4785	59.1573

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