scPDB - 2qln entry

Protein Data Bank Entry:

PDB ID : 2qln

Resolution :2.150 Å

Experimental Method : X-ray

Deposition Date : 2007-07-13

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Glycogen phosphorylase, muscle form
ID:	PYGM_RABIT
AC:	P00489
Organism:	Oryctolagus cuniculus
Reign:	Eukaryota
TaxID:	9986
EC Number:	2.4.1.1

Chains:

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

Ligand binding site composition:

B-Factor:	19.217
Number of residues:	48
Including
Standard Amino Acids:	41
Non Standard Amino Acids:	1
Water Molecules:	6
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.983	1076.625

% Hydrophobic	% Polar
41.38	58.62
According to VolSite

Ligand :

HET Code:	F59
Formula:	C20H22N2O7
Molecular weight:	402.398 g/mol
DrugBank ID:	-
Buried Surface Area:	66.24 %
Polar Surface area:	148.35 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	6
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	4

Mass center Coordinates

X	Y	Z
35.0421	24.3596	31.2134

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
C14	CB	ASN- 133	4.45	0	Hydrophobic	false
O7	N	LEU- 136	3.06	157.74	H-Bond (Protein Donor)	false
C6	CD2	LEU- 139	4.02	0	Hydrophobic	false
C19	CB	TYR- 280	4.34	0	Hydrophobic	false
C9	CB	ASP- 283	3.71	0	Hydrophobic	false
C18	CG	ARG- 292	4.07	0	Hydrophobic	false
C19	CD	ARG- 292	4.24	0	Hydrophobic	false
DuAr	CZ	ARG- 292	3.93	20.31	Pi/Cation	false
O6	ND1	HIS- 377	2.69	176.56	H-Bond (Ligand Donor)	false
C17	CG	GLU- 385	3.89	0	Hydrophobic	false
O6	ND2	ASN- 484	2.78	157.92	H-Bond (Protein Donor)	false
O4	ND2	ASN- 484	3.43	123.8	H-Bond (Protein Donor)	false
O3	OE1	GLU- 672	2.7	167.94	H-Bond (Ligand Donor)	false
C4	CB	SER- 674	4.27	0	Hydrophobic	false
O3	N	SER- 674	3.13	176.73	H-Bond (Protein Donor)	false
O4	N	GLY- 675	2.81	126.71	H-Bond (Protein Donor)	false
O3	N	GLY- 675	3.21	147.9	H-Bond (Protein Donor)	false
O2	O	HOH- 1084	2.89	166.25	H-Bond (Ligand Donor)	false