scPDB - 3ilt entry

Protein Data Bank Entry:

PDB ID : 3ilt

Resolution :2.110 Å

Experimental Method : X-ray

Deposition Date : 2009-08-07

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
B	32 %
E	68 %

Ligand binding site composition:

B-Factor:	40.053
Number of residues:	36
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.924	546.750

% Hydrophobic	% Polar
42.59	57.41
According to VolSite

Ligand :

HET Code:	TRU
Formula:	C8H8Cl3N3O4S2
Molecular weight:	380.656 g/mol
DrugBank ID:	DB08645
Buried Surface Area:	70.29 %
Polar Surface area:	135.11 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	3
Rings:	2
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

Mass center Coordinates

X	Y	Z
17.4217	4.4817	19.7108

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
CL19	CG2	ILE- 92	3.74	0	Hydrophobic	false
CL20	CB	LYS- 104	4.42	0	Hydrophobic	false
CL19	CB	LYS- 104	3.99	0	Hydrophobic	false
O16	OG	SER- 108	3.35	138.16	H-Bond (Protein Donor)	false
O14	N	SER- 108	2.67	174.23	H-Bond (Protein Donor)	false
C7	CB	SER- 108	3.95	0	Hydrophobic	false
N15	OG	SER- 217	3.03	151.53	H-Bond (Ligand Donor)	false
C6	CB	SER- 217	3.39	0	Hydrophobic	false
C18	CB	LYS- 218	4.28	0	Hydrophobic	false
CL20	CG1	VAL- 238	4.41	0	Hydrophobic	false
CL20	CG	LEU- 239	3.72	0	Hydrophobic	false
C18	CD2	LEU- 239	3.68	0	Hydrophobic	false
CL20	CB	SER- 242	3.33	0	Hydrophobic	false
C18	CB	SER- 242	4.22	0	Hydrophobic	false
C4	CB	SER- 242	4.28	0	Hydrophobic	false
N8	OG	SER- 242	2.73	172.13	H-Bond (Ligand Donor)	false
C4	CD1	LEU- 247	3.52	0	Hydrophobic	false
CL11	CB	LEU- 247	3.28	0	Hydrophobic	false
CL11	CB	ASP- 248	4.09	0	Hydrophobic	false