scPDB - 3oh0 entry

Protein Data Bank Entry:

PDB ID : 3oh0

Resolution :2.150 Å

Experimental Method : X-ray

Deposition Date : 2010-08-17

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	UDP-sugar pyrophosphorylase
ID:	D3G6S4_LEIMA
AC:	D3G6S4
Organism:	Leishmania major
Reign:	Eukaryota
TaxID:	5664
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	40.367
Number of residues:	35
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.744	816.750

% Hydrophobic	% Polar
31.40	68.60
According to VolSite

Ligand :

HET Code:	UTP
Formula:	C9H11N2O15P3
Molecular weight:	480.109 g/mol
DrugBank ID:	DB04005
Buried Surface Area:	50.58 %
Polar Surface area:	299.67 Å2

Number of
H-Bond Acceptors:	15
H-Bond Donors:	3
Rings:	2
Aromatic rings:	0
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
9.72593	9.53455	29.0964

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
C1'	CB	VAL- 120	4.43	0	Hydrophobic	false
C3'	CG1	VAL- 120	4	0	Hydrophobic	false
O2'	N	GLY- 122	3.08	126.86	H-Bond (Protein Donor)	false
O2	N	GLY- 122	3.11	137.82	H-Bond (Protein Donor)	false
O3G	NZ	LYS- 134	3.17	0	Ionic (Protein Cationic)	false
N3	OE1	GLN- 196	2.79	165.14	H-Bond (Ligand Donor)	false
O4	NE2	GLN- 196	3.33	123.58	H-Bond (Protein Donor)	false
C1'	CB	HIS- 224	4.32	0	Hydrophobic	false
C4'	CB	GLN- 270	4.44	0	Hydrophobic	false
C3'	CB	ASP- 271	4.17	0	Hydrophobic	false
O3'	N	ASP- 271	3.46	121.61	H-Bond (Protein Donor)	false