scPDB - 2wgs entry

Protein Data Bank Entry:

PDB ID : 2wgs

Resolution :2.550 Å

Experimental Method : X-ray

Deposition Date : 2009-04-27

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Glutamine synthetase
ID:	GLNA1_MYCTU
AC:	P9WN39
Organism:	Mycobacterium tuberculosis
Reign:	Bacteria
TaxID:	83332
EC Number:	6.3.1.2

Chains:

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

Ligand binding site composition:

B-Factor:	40.313
Number of residues:	29
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.077	496.125

% Hydrophobic	% Polar
44.22	55.78
According to VolSite

Ligand :

HET Code:	1AZ
Formula:	C18H19Cl2N5O3
Molecular weight:	424.281 g/mol
DrugBank ID:	-
Buried Surface Area:	61.66 %
Polar Surface area:	70.91 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	0
Rings:	4
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

Mass center Coordinates

X	Y	Z
35.4488	38.3792	-24.5691

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
C16	CB	TYR- 129	4.4	0	Hydrophobic	false
C14	CB	TYR- 129	4.12	0	Hydrophobic	false
C10	CG	GLU- 133	4.31	0	Hydrophobic	false
C11	CG	GLU- 133	3.99	0	Hydrophobic	false
O2	ND2	ASN- 229	3.06	170.59	H-Bond (Protein Donor)	false
C11	CB	ASN- 229	4.08	0	Hydrophobic	false
CL2	CZ	PHE- 232	4.37	0	Hydrophobic	false
C14	CB	PHE- 232	3.72	0	Hydrophobic	false
C17	CZ	PHE- 232	3.46	0	Hydrophobic	false
C14	CB	HIS- 278	3.7	0	Hydrophobic	false
O3	OG	SER- 280	2.66	166.59	H-Bond (Protein Donor)	false
CL1	CH2	TRP- 282	4.42	0	Hydrophobic	false
CL2	CH2	TRP- 282	3.84	0	Hydrophobic	false
CL1	CB	LYS- 361	4.21	0	Hydrophobic	false
C4	CD	ARG- 364	4.42	0	Hydrophobic	false