scPDB - 1hon entry

Protein Data Bank Entry:

PDB ID : 1hon

Resolution :2.300 Å

Experimental Method : X-ray

Deposition Date : 1996-04-26

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Adenylosuccinate synthetase
ID:	PURA_ECOLI
AC:	P0A7D4
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	29.265
Number of residues:	34
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.140	1522.125

% Hydrophobic	% Polar
35.92	64.08
According to VolSite

Ligand :

HET Code:	GNH
Formula:	C10H14N6O10P2
Molecular weight:	440.200 g/mol
DrugBank ID:	DB02623
Buried Surface Area:	48.74 %
Polar Surface area:	279.34 Å2

Number of
H-Bond Acceptors:	13
H-Bond Donors:	5
Rings:	3
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

Mass center Coordinates

X	Y	Z
29.8868	69.0162	-14.8928

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
O1A	N	GLY- 17	2.96	154.13	H-Bond (Protein Donor)	false
N3B	O	GLY- 40	3.13	164.82	H-Bond (Ligand Donor)	false
O2B	N	THR- 42	2.84	152.5	H-Bond (Protein Donor)	false
C5'	CG2	THR- 300	3.95	0	Hydrophobic	false
O6	N	LYS- 331	3.12	135.43	H-Bond (Protein Donor)	false
N1	OD1	ASP- 333	3.43	142.66	H-Bond (Ligand Donor)	false
N2	OD2	ASP- 333	2.8	133.15	H-Bond (Ligand Donor)	false
N7	OG	SER- 414	3.48	164.94	H-Bond (Protein Donor)	false