scPDB - 2xx9 entry

Protein Data Bank Entry:

PDB ID : 2xx9

Resolution :1.970 Å

Experimental Method : X-ray

Deposition Date : 2010-11-09

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
A	47 %
C	53 %

Ligand binding site composition:

B-Factor:	32.597
Number of residues:	34
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.349	1282.500

% Hydrophobic	% Polar
41.05	58.95
According to VolSite

Ligand :

HET Code:	1NF
Formula:	C19H19F4N3O
Molecular weight:	381.367 g/mol
DrugBank ID:	-
Buried Surface Area:	70.68 %
Polar Surface area:	38.13 Å2

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

Mass center Coordinates

X	Y	Z
61.3974	26.8088	42.9673

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
F2	CB	ILE- 92	3.69	0	Hydrophobic	false
F4	CG2	ILE- 92	4.08	0	Hydrophobic	false
F4	CB	LYS- 104	3.49	0	Hydrophobic	false
C2	CG	PRO- 105	3.66	0	Hydrophobic	false
C4	CG	PRO- 105	3.54	0	Hydrophobic	false
F1	CB	PRO- 105	3.86	0	Hydrophobic	false
C17	CB	SER- 108	4.34	0	Hydrophobic	false
C5	CB	SER- 108	3.96	0	Hydrophobic	false
C1	CB	SER- 108	3.38	0	Hydrophobic	false
O1	OG	SER- 217	3.21	149.28	H-Bond (Protein Donor)	false
F2	CB	LYS- 218	3.86	0	Hydrophobic	false
F4	CD2	LEU- 239	3.52	0	Hydrophobic	false
F3	CB	SER- 242	4.32	0	Hydrophobic	false
C14	CB	SER- 242	4.08	0	Hydrophobic	false
C9	CB	SER- 242	4.14	0	Hydrophobic	false
C15	CD1	LEU- 247	4.35	0	Hydrophobic	false
C10	CD1	LEU- 247	3.83	0	Hydrophobic	false