scPDB - 1g8o entry

Protein Data Bank Entry:

PDB ID : 1g8o

Resolution :2.300 Å

Experimental Method : X-ray

Deposition Date : 2000-11-20

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	N-acetyllactosaminide alpha-1,3-galactosyltransferase
ID:	GGTA1_BOVIN
AC:	P14769
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	59.364
Number of residues:	30
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	MN

Cavity properties

Ligandability	Volume (Å3)
0.408	344.250

% Hydrophobic	% Polar
54.90	45.10
According to VolSite

Ligand :

HET Code:	U5P
Formula:	C9H11N2O9P
Molecular weight:	322.165 g/mol
DrugBank ID:	-
Buried Surface Area:	83.11 %
Polar Surface area:	181.33 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	3
Rings:	2
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	4

Mass center Coordinates

X	Y	Z
84.9204	14.7155	46.1651

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	PHE- 134	4.42	0	Hydrophobic	false
O2'	O	PHE- 134	2.54	169.37	H-Bond (Ligand Donor)	false
N3	O	VAL- 136	3.21	176.27	H-Bond (Ligand Donor)	false
O2	N	VAL- 136	2.81	149.55	H-Bond (Protein Donor)	false
O4	NH2	ARG- 138	2.82	165.97	H-Bond (Protein Donor)	false
C2'	CD1	TYR- 139	4.13	0	Hydrophobic	false
C3'	CE1	TYR- 139	4.02	0	Hydrophobic	false
O1P	OH	TYR- 139	2.96	125.33	H-Bond (Protein Donor)	false
C1'	CG2	ILE- 198	4.1	0	Hydrophobic	false
C5'	CB	SER- 199	3.93	0	Hydrophobic	false
C1'	CD	ARG- 202	4.4	0	Hydrophobic	false
C4'	CD	ARG- 202	4.49	0	Hydrophobic	false
C3'	CB	ASP- 225	4.42	0	Hydrophobic	false
O2'	N	VAL- 226	3.22	159.45	H-Bond (Protein Donor)	false
O3'	N	VAL- 226	3.1	123.32	H-Bond (Protein Donor)	false
C2'	CG1	VAL- 226	3.48	0	Hydrophobic	false
O2P	ND2	ASN- 362	3.32	154.23	H-Bond (Protein Donor)	false
O2'	O	HOH- 478	2.7	179.97	H-Bond (Protein Donor)	false