scPDB - 3etg entry

Protein Data Bank Entry:

PDB ID : 3etg

Resolution :2.500 Å

Experimental Method : X-ray

Deposition Date : 2008-10-07

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Glutamate dehydrogenase 1, mitochondrial
ID:	DHE3_BOVIN
AC:	P00366
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
EC Number:	1.4.1.3

Chains:

Chain Name:	Percentage of Residues within binding site
D	24 %
F	76 %

Ligand binding site composition:

B-Factor:	39.621
Number of residues:	22
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.055	1491.750

% Hydrophobic	% Polar
39.82	60.18
According to VolSite

Ligand :

HET Code:	GWD
Formula:	C15H7Br2INO2
Molecular weight:	519.934 g/mol
DrugBank ID:	-
Buried Surface Area:	37.36 %
Polar Surface area:	52.16 Å2

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

Mass center Coordinates

X	Y	Z
36.7762	36.9495	140.921

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
BRAD	CB	LYS- 143	4.45	0	Hydrophobic	false
CAI	CB	ARG- 146	4.25	0	Hydrophobic	false
IAE	CD	ARG- 146	4.24	0	Hydrophobic	false
CAK	CD	ARG- 146	3.24	0	Hydrophobic	false
DuAr	CZ	ARG- 146	3.75	20.25	Pi/Cation	false
OAB	NH1	ARG- 147	3.48	148.5	H-Bond (Protein Donor)	false
BRAC	CD	ARG- 147	3.65	0	Hydrophobic	false
BRAC	CG	MET- 150	3.9	0	Hydrophobic	false
CAH	CG	MET- 150	3.45	0	Hydrophobic	false
BRAC	CB	SER- 185	4.34	0	Hydrophobic	false