scPDB - 4e07 entry

Protein Data Bank Entry:

PDB ID : 4e07

Resolution :2.900 Å

Experimental Method : X-ray

Deposition Date : 2012-03-02

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Plasmid partitioning protein ParF
ID:	B0ZE06_ECOLX
AC:	B0ZE06
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	562
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
A	79 %
B	21 %

Ligand binding site composition:

B-Factor:	53.985
Number of residues:	47
Including
Standard Amino Acids:	47
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.823	847.125

% Hydrophobic	% Polar
47.41	52.59
According to VolSite

Ligand :

HET Code:	ACP
Formula:	C11H14N5O12P3
Molecular weight:	501.176 g/mol
DrugBank ID:	DB03909
Buried Surface Area:	75.71 %
Polar Surface area:	310.64 Å2

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

Mass center Coordinates

X	Y	Z
-19.1394	34.6095	-9.78155

Binding mode :

What is Poseview ?

2D View
3D View

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
O1B	NZ	LYS- 10	2.59	132.99	H-Bond (Protein Donor)	false
O2A	NZ	LYS- 10	3.34	155.98	H-Bond (Protein Donor)	false
O1B	NZ	LYS- 10	2.59	0	Ionic (Protein Cationic)	false
O2A	NZ	LYS- 10	3.34	0	Ionic (Protein Cationic)	false
O1B	N	GLY- 12	2.8	133.36	H-Bond (Protein Donor)	false
O3G	NZ	LYS- 15	3.56	0	Ionic (Protein Cationic)	false
O2B	NZ	LYS- 15	2.96	0	Ionic (Protein Cationic)	false
O2B	N	LYS- 15	2.52	150.97	H-Bond (Protein Donor)	false
O2B	NZ	LYS- 15	2.96	153.59	H-Bond (Protein Donor)	false
C3B	CB	LYS- 15	4.25	0	Hydrophobic	false
O1G	N	THR- 16	3.02	120.86	H-Bond (Protein Donor)	false
C3B	CB	THR- 16	3.58	0	Hydrophobic	false
O1A	N	THR- 17	3.18	163.38	H-Bond (Protein Donor)	false
O1A	OG1	THR- 17	3.34	153.82	H-Bond (Protein Donor)	false
O1G	OD2	ASP- 82	2.62	153.39	H-Bond (Protein Donor)	false
C3'	CB	SER- 108	4.11	0	Hydrophobic	false
O2'	OG	SER- 108	2.83	158.75	H-Bond (Protein Donor)	false
C4'	CD1	LEU- 110	4.29	0	Hydrophobic	false
C3'	CG	LEU- 110	4.44	0	Hydrophobic	false
C2'	CD1	LEU- 110	3.25	0	Hydrophobic	false
O3'	OD2	ASP- 111	3.2	154.29	H-Bond (Ligand Donor)	false
O4'	NE	ARG- 139	2.92	168.52	H-Bond (Protein Donor)	false
C1'	CD	ARG- 139	4.43	0	Hydrophobic	false
N6	O	THR- 167	2.97	147.09	H-Bond (Ligand Donor)	false
N3	NE2	GLN- 168	3.43	163	H-Bond (Protein Donor)	false
N1	N	ARG- 169	3.29	127.42	H-Bond (Protein Donor)	false