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:	Energy-coupling factor transporter ATP-binding protein EcfA2	Energy-coupling factor transporter ATP-binding protein EcfA1
ID:	ECFA2_THEMA	ECFA1_THEMA
AC:	Q9WY65	Q9X1Z1
Organism:	Thermotoga maritima
Reign:	Bacteria
TaxID:	243274
EC Number:	3.6.3	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	66 %
B	34 %

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Ligand binding site composition:

B-Factor:	82.995
Number of residues:	38
Including
Standard Amino Acids:	37
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	MG

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Cavity properties

Ligandability	Volume (Å3)
0.761	914.625

% Hydrophobic	% Polar
41.33	58.67
According to VolSite

HET Code:	ANP
Formula:	C10H13N6O12P3
Molecular weight:	502.164 g/mol
DrugBank ID:	-
Buried Surface Area:	63.26 %
Polar Surface area:	322.68 Å2

Number of
H-Bond Acceptors:	16
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
10.6715	11.4766	16.6152

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