scPDB - 2zf4 entry

Protein Data Bank Entry:

PDB ID : 2zf4

Resolution :2.180 Å

Experimental Method : X-ray

Deposition Date : 2007-12-20

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Uncharacterized protein
ID:	Q7NSZ5_CHRVO
AC:	Q7NSZ5
Organism:	Chromobacterium violaceum
Reign:	Bacteria
TaxID:	243365
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	18.004
Number of residues:	21
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.307	334.125

% Hydrophobic	% Polar
63.64	36.36
According to VolSite

Ligand :

HET Code:	PPY
Formula:	C9H7O3
Molecular weight:	163.150 g/mol
DrugBank ID:	DB03884
Buried Surface Area:	78 %
Polar Surface area:	57.2 Å2

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

Mass center Coordinates

X	Y	Z
-1.22592	5.12792	-44.708

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
O1	OG	SER- 19	3.49	138.58	H-Bond (Protein Donor)	false
O2	OG	SER- 19	2.57	159.94	H-Bond (Protein Donor)	false
C5'	CB	ILE- 46	3.83	0	Hydrophobic	false
C1'	CG2	ILE- 46	3.4	0	Hydrophobic	false
O3	N	ASN- 51	2.97	177.7	H-Bond (Protein Donor)	false
C3'	CB	MET- 64	4.11	0	Hydrophobic	false
C5'	CE	MET- 64	3.44	0	Hydrophobic	false
C5'	CB	GLU- 66	3.78	0	Hydrophobic	false
O1	NE	ARG- 172	2.66	149.66	H-Bond (Protein Donor)	false
O1	NH2	ARG- 172	2.86	136.26	H-Bond (Protein Donor)	false
O1	CZ	ARG- 172	3.16	0	Ionic (Protein Cationic)	false