scPDB - 3ez2 entry

Protein Data Bank Entry:

PDB ID : 3ez2

Resolution :2.050 Å

Experimental Method : X-ray

Deposition Date : 2008-10-22

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Plasmid partition protein A
ID:	PARA_ECOLX
AC:	P07620
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	562
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
A	38 %
B	62 %

Ligand binding site composition:

B-Factor:	40.625
Number of residues:	25
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.251	580.500

% Hydrophobic	% Polar
60.47	39.53
According to VolSite

Ligand :

HET Code:	ADP
Formula:	C10H12N5O10P2
Molecular weight:	424.177 g/mol
DrugBank ID:	-
Buried Surface Area:	44.62 %
Polar Surface area:	260.7 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

Mass center Coordinates

X	Y	Z
19.6819	66.2228	53.9148

Binding mode :

What is Poseview ?

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Image generated by PoseView

Protein

Binding Site

Ligand

Interaction pattern

hydrophobic (CA)

aromatic (CZ)

hydrogen bond acceptor (O)

hydrogen bond acceptor/donor (OG)

hydrogen bond donor (N)

positively ionized (NZ)

negatively ionized (OD1)

metal (ZN)

Legend:

Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand

Image generated using PoseView by BioSolveIT

Ligand	Protein		Interaction
Atom	Atom	Residue	Distance (Å)	Angle (°)	Type
C2'	SD	MET- 159	3.68	0	Hydrophobic	false
N6	OG	SER- 162	2.92	153.22	H-Bond (Ligand Donor)	false
O1B	NZ	LYS- 164	2.94	167.14	H-Bond (Protein Donor)	false
O1B	NZ	LYS- 164	2.94	0	Ionic (Protein Cationic)	false
C5'	CD	LYS- 164	4.37	0	Hydrophobic	false
C4'	CB	ALA- 277	3.93	0	Hydrophobic	false
C4'	CG2	VAL- 279	4.42	0	Hydrophobic	false
C1'	CG2	VAL- 279	3.56	0	Hydrophobic	false
O3'	OD2	ASP- 280	3.21	164.2	H-Bond (Ligand Donor)	false
O2'	OD2	ASP- 280	2.7	156.9	H-Bond (Ligand Donor)	false
C2'	CE1	PHE- 356	3.59	0	Hydrophobic	false