scPDB - 4l17 entry

Protein Data Bank Entry:

PDB ID : 4l17

Resolution :2.800 Å

Experimental Method : X-ray

Deposition Date : 2013-06-02

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Glutamate receptor 2
ID:	GRIA2_RAT
AC:	P19491
Organism:	Rattus norvegicus
Reign:	Eukaryota
TaxID:	10116
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	89.527
Number of residues:	24
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.945	799.875

% Hydrophobic	% Polar
48.52	51.48
According to VolSite

Ligand :

HET Code:	DNQ
Formula:	C8H2N4O6
Molecular weight:	250.125 g/mol
DrugBank ID:	DB03759
Buried Surface Area:	66.74 %
Polar Surface area:	150.49 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	0
Rings:	2
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	2
Rule of Five Violation:	0
Rotatable Bonds:	2

Mass center Coordinates

X	Y	Z
-0.611778	4.40817	14.9944

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
N2	O	PRO- 89	2.95	139.34	H-Bond (Ligand Donor)	false
C6	CB	PRO- 89	4.28	0	Hydrophobic	false
O2	N	THR- 91	3.08	143.9	H-Bond (Protein Donor)	false
C4	CG2	THR- 91	4.07	0	Hydrophobic	false
O1	NH2	ARG- 96	2.89	148.28	H-Bond (Protein Donor)	false
O2	NH2	ARG- 96	2.96	128.99	H-Bond (Protein Donor)	false
O2	NH1	ARG- 96	2.52	151.45	H-Bond (Protein Donor)	false
C5	CG	GLU- 193	4.23	0	Hydrophobic	false