scPDB - 1z6q entry

Protein Data Bank Entry:

PDB ID : 1z6q

Resolution :2.030 Å

Experimental Method : X-ray

Deposition Date : 2005-03-23

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:	30.889
Number of residues:	30
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.157	641.250

% Hydrophobic	% Polar
50.00	50.00
According to VolSite

Ligand :

HET Code:	195
Formula:	C28H16N4O11
Molecular weight:	584.447 g/mol
DrugBank ID:	DB03067
Buried Surface Area:	40.53 %
Polar Surface area:	239.32 Å2

Number of
H-Bond Acceptors:	11
H-Bond Donors:	2
Rings:	4
Aromatic rings:	4
Anionic atoms:	4
Cationic atoms:	2
Rule of Five Violation:	2
Rotatable Bonds:	10

Mass center Coordinates

X	Y	Z
26.074	-1.47933	52.4719

Binding mode :

What is Poseview ?

2D View
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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
C20	CB	TRP- 67	4.42	0	Hydrophobic	false
C3	CG2	ILE- 68	4.28	0	Hydrophobic	false
C21	CG1	ILE- 68	4.34	0	Hydrophobic	false
N1	O	ILE- 68	2.93	145.4	H-Bond (Ligand Donor)	false
C1	CB	GLN- 71	4.41	0	Hydrophobic	false
C16	CB	GLN- 71	4.29	0	Hydrophobic	false
C8	CB	GLN- 71	4.14	0	Hydrophobic	false
C21	CG	GLN- 71	3.47	0	Hydrophobic	false
C3	CB	GLN- 72	3.53	0	Hydrophobic	false
C5	CG	GLN- 72	3.92	0	Hydrophobic	false
C23	CG	GLN- 72	4.45	0	Hydrophobic	false
C1	CB	GLN- 72	4.24	0	Hydrophobic	false
C6	CB	TYR- 75	3.68	0	Hydrophobic	false
C8	CB	TYR- 75	3.76	0	Hydrophobic	false
O4	NH1	ARG- 81	3.38	137.81	H-Bond (Protein Donor)	false
O5	OH	TYR- 155	2.98	120.05	H-Bond (Protein Donor)	false
O8	CZ	ARG- 193	2.91	0	Ionic (Protein Cationic)	false
O3	NH2	ARG- 309	3.44	163.24	H-Bond (Protein Donor)	false
O5	NE	ARG- 310	3.03	132.68	H-Bond (Protein Donor)	false