scPDB - 2qt5 entry

Protein Data Bank Entry:

PDB ID : 2qt5

Resolution :2.300 Å

Experimental Method : X-ray

Deposition Date : 2007-08-01

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Glutamate receptor-interacting protein 1
ID:	GRIP1_RAT
AC:	P97879
Organism:	Rattus norvegicus
Reign:	Eukaryota
TaxID:	10116
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	44.517
Number of residues:	23
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.654	280.125

% Hydrophobic	% Polar
56.63	43.37
According to VolSite

Ligand :

HET Code:	GLY_THR_GLU_VAL
Formula:	C16H27N4O8
Molecular weight:	403.408 g/mol
DrugBank ID:	-
Buried Surface Area:	51.51 %
Polar Surface area:	215.42 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	5
Rings:	0
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	12

Mass center Coordinates

X	Y	Z
11.0531	22.812	6.43168

Binding mode :

What is Poseview ?

2D View
3D View

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
O	N	LEU- 64	3.15	126.03	H-Bond (Protein Donor)	false
OXT	N	LEU- 64	2.85	176.58	H-Bond (Protein Donor)	false
CG2	CD1	LEU- 64	4.43	0	Hydrophobic	false
O	N	GLY- 65	3.1	124.99	H-Bond (Protein Donor)	false
N	O	LEU- 66	2.76	173.97	H-Bond (Ligand Donor)	false
O	N	LEU- 66	3.24	174.93	H-Bond (Protein Donor)	false
CG2	CD2	LEU- 66	4.16	0	Hydrophobic	false
CB	CB	THR- 67	4.43	0	Hydrophobic	false
N	O	VAL- 68	2.79	157.43	H-Bond (Ligand Donor)	false
O	N	VAL- 68	2.92	174.72	H-Bond (Protein Donor)	false
OE1	CZ	ARG- 84	3.47	0	Ionic (Protein Cationic)	false
OE2	CZ	ARG- 84	3.55	0	Ionic (Protein Cationic)	false
OE1	NE	ARG- 84	3.33	133.68	H-Bond (Protein Donor)	false
OE1	NH2	ARG- 84	2.74	160.39	H-Bond (Protein Donor)	false
OE2	NE	ARG- 84	2.7	159.66	H-Bond (Protein Donor)	false
OG1	NE2	HIS- 114	2.68	160.82	H-Bond (Ligand Donor)	false
CB	CD1	ILE- 118	3.73	0	Hydrophobic	false
CG2	CG2	ILE- 118	4.05	0	Hydrophobic	false
CG1	CG2	ILE- 118	3.89	0	Hydrophobic	false
CG1	CB	LEU- 121	3.87	0	Hydrophobic	false
CG1	CG	LYS- 122	3.94	0	Hydrophobic	false
OE2	O	HOH- 263	2.83	179.99	H-Bond (Protein Donor)	false