scPDB - 2zno entry

Protein Data Bank Entry:

PDB ID : 2zno

Resolution :2.400 Å

Experimental Method : X-ray

Deposition Date : 2008-04-30

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Peroxisome proliferator-activated receptor gamma
ID:	PPARG_HUMAN
AC:	P37231
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	53.263
Number of residues:	36
Including
Standard Amino Acids:	36
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.452	1417.500

% Hydrophobic	% Polar
62.62	37.38
According to VolSite

Ligand :

HET Code:	S44
Formula:	C32H40NO4
Molecular weight:	502.664 g/mol
DrugBank ID:	-
Buried Surface Area:	56.17 %
Polar Surface area:	78.46 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	1
Rings:	6
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	11

Mass center Coordinates

X	Y	Z
17.2956	67.3963	11.0419

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
C22	CD1	ILE- 249	4.4	0	Hydrophobic	false
C22	CD1	LEU- 255	3.61	0	Hydrophobic	false
C29	CG	GLU- 259	4.41	0	Hydrophobic	false
C26	CG2	ILE- 262	4.34	0	Hydrophobic	false
C29	CG2	ILE- 262	4.31	0	Hydrophobic	false
C28	CG	ARG- 280	4.07	0	Hydrophobic	false
C18	CG2	ILE- 281	4.23	0	Hydrophobic	false
C25	CB	ILE- 281	4.37	0	Hydrophobic	false
C23	CG1	ILE- 281	4.06	0	Hydrophobic	false
C4	CE1	PHE- 282	3.34	0	Hydrophobic	false
C19	SG	CYS- 285	3.99	0	Hydrophobic	false
C2	CB	CYS- 285	3.92	0	Hydrophobic	false
C7	CB	CYS- 285	3.58	0	Hydrophobic	false
C9	SG	CYS- 285	3.39	0	Hydrophobic	false
O33	OG	SER- 289	2.52	136.88	H-Bond (Protein Donor)	false
C2	CB	SER- 289	4.48	0	Hydrophobic	false
C5	CE1	TYR- 327	3.97	0	Hydrophobic	false
C10	CD2	LEU- 330	4.08	0	Hydrophobic	false
C14	CB	ILE- 341	3.77	0	Hydrophobic	false
C19	CG2	ILE- 341	3.62	0	Hydrophobic	false
C21	CD1	ILE- 341	3.58	0	Hydrophobic	false
C18	CE	MET- 348	4.07	0	Hydrophobic	false
C21	CE	MET- 348	3.58	0	Hydrophobic	false
C10	CE	MET- 364	3.21	0	Hydrophobic	false
O34	OH	TYR- 473	2.92	124.99	H-Bond (Protein Donor)	false