scPDB - 2hwu entry

Protein Data Bank Entry:

PDB ID : 2hwu

Resolution :2.910 Å

Experimental Method : X-ray

Deposition Date : 2006-08-02

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Uridine phosphorylase
ID:	UDP_SALTY
AC:	P0A1F6
Organism:	Salmonella typhimurium
Reign:	Bacteria
TaxID:	99287
EC Number:	2.4.2.3

Chains:

Chain Name:	Percentage of Residues within binding site
A	85 %
F	15 %

Ligand binding site composition:

B-Factor:	4.457
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.532	681.750

% Hydrophobic	% Polar
47.03	52.97
According to VolSite

Ligand :

HET Code:	URI
Formula:	C9H12N2O6
Molecular weight:	244.201 g/mol
DrugBank ID:	DB02745
Buried Surface Area:	76.71 %
Polar Surface area:	119.33 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	4
Rings:	2
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

Mass center Coordinates

X	Y	Z
7.24118	25.6645	55.6692

Binding mode :

What is Poseview ?

2D View
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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
C3'	CG2	ILE- 1069	4.09	0	Hydrophobic	false
C5'	CD1	ILE- 1069	3.92	0	Hydrophobic	false
O2'	NH2	ARG- 1091	3.17	124.47	H-Bond (Protein Donor)	false
C5'	CD2	PHE- 1162	3.81	0	Hydrophobic	false
N3	OE1	GLN- 1166	2.86	170.59	H-Bond (Ligand Donor)	false
O2	NE2	GLN- 1166	2.87	155.53	H-Bond (Protein Donor)	false
O4	NH2	ARG- 1168	3.1	170.7	H-Bond (Protein Donor)	false
C2'	CB	GLU- 1196	4.17	0	Hydrophobic	false
C2'	CB	MET- 1197	3.82	0	Hydrophobic	false
C3'	SD	MET- 1197	3.8	0	Hydrophobic	false
C5'	SD	MET- 1197	4.34	0	Hydrophobic	false
O2'	N	MET- 1197	3.13	136.05	H-Bond (Protein Donor)	false
O2'	OE1	GLU- 1198	2.85	137.69	H-Bond (Ligand Donor)	false
O3'	OE2	GLU- 1198	2.65	152.5	H-Bond (Ligand Donor)	false
O5'	NE2	HIS- 4008	2.52	162.88	H-Bond (Protein Donor)	false