scPDB - 1l5q entry

Protein Data Bank Entry:

PDB ID : 1l5q

Resolution :2.250 Å

Experimental Method : X-ray

Deposition Date : 2002-03-07

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Glycogen phosphorylase, liver form
ID:	PYGL_HUMAN
AC:	P06737
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.4.1.1

Chains:

Chain Name:	Percentage of Residues within binding site
A	53 %
B	47 %

Ligand binding site composition:

B-Factor:	19.045
Number of residues:	38
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.127	384.750

% Hydrophobic	% Polar
45.61	54.39
According to VolSite

Ligand :

HET Code:	700
Formula:	C22H19ClN3O4
Molecular weight:	424.857 g/mol
DrugBank ID:	DB03744
Buried Surface Area:	63.78 %
Polar Surface area:	105.33 Å2

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

Mass center Coordinates

X	Y	Z
65.5036	-73.6629	78.25

Binding mode :

What is Poseview ?

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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
C10	CG2	THR- 38	3.71	0	Hydrophobic	false
N1	O	THR- 38	3.14	151.36	H-Bond (Ligand Donor)	false
C12	CD1	LEU- 39	4.42	0	Hydrophobic	false
C5	CG2	VAL- 40	3.5	0	Hydrophobic	false
C13	CD1	PHE- 53	3.49	0	Hydrophobic	false
C12	CB	PHE- 53	4.35	0	Hydrophobic	false
C4	CG	ARG- 60	3.34	0	Hydrophobic	false
C3	CD	ARG- 60	3.5	0	Hydrophobic	false
CL1	CB	LEU- 63	3.61	0	Hydrophobic	false
CL1	CG2	VAL- 64	3.63	0	Hydrophobic	false
CL1	CE3	TRP- 67	3.78	0	Hydrophobic	false
C3	CZ3	TRP- 67	3.48	0	Hydrophobic	false
C14	CB	PRO- 188	3.59	0	Hydrophobic	false
N2	O	GLU- 190	2.8	171.23	H-Bond (Ligand Donor)	false
O2	NZ	LYS- 191	2.87	140.24	H-Bond (Protein Donor)	false
C6	CD	LYS- 191	4.41	0	Hydrophobic	false
C1	CB	LYS- 191	3.81	0	Hydrophobic	false
C3	CG	PRO- 229	3.91	0	Hydrophobic	false