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:	Carbapenam-3-carboxylate synthase
ID:	CARA_PECCC
AC:	Q9XB61
Organism:	Pectobacterium carotovorum subsp. carotovorum
Reign:	Bacteria
TaxID:	555
EC Number:	6.3.3.6

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Chains:

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

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Ligand binding site composition:

B-Factor:	27.675
Number of residues:	19
Including
Standard Amino Acids:	17
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.384	408.375

% Hydrophobic	% Polar
47.93	52.07
According to VolSite

HET Code:	SSC
Formula:	C7H10NO4
Molecular weight:	172.159 g/mol
DrugBank ID:	DB03215
Buried Surface Area:	52.86 %
Polar Surface area:	96.87 Å2

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

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Mass center Coordinates

X	Y	Z
-8.99158	-5.7435	17.6827

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