scPDB - 3p0h entry

Protein Data Bank Entry:

PDB ID : 3p0h

Resolution :3.000 Å

Experimental Method : X-ray

Deposition Date : 2010-09-28

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Putative tyrosyl-tRNA synthetase
ID:	Q4QFJ7_LEIMA
AC:	Q4QFJ7
Organism:	Leishmania major
Reign:	Eukaryota
TaxID:	5664
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	46.575
Number of residues:	24
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.876	607.500

% Hydrophobic	% Polar
43.89	56.11
According to VolSite

Ligand :

HET Code:	FSE
Formula:	C15H9O6
Molecular weight:	285.228 g/mol
DrugBank ID:	DB07795
Buried Surface Area:	60.61 %
Polar Surface area:	110.05 Å2

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

Mass center Coordinates

X	Y	Z
7.23929	87.4661	35.7454

Binding mode :

What is Poseview ?

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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
O7	OH	TYR- 36	2.62	164.31	H-Bond (Protein Donor)	false
O3'	OD1	ASP- 37	2.74	162.81	H-Bond (Ligand Donor)	false
O3'	OD2	ASP- 37	3.22	135.7	H-Bond (Ligand Donor)	false
C5	CB	ALA- 72	3.76	0	Hydrophobic	false
C7	CG	GLN- 167	3.77	0	Hydrophobic	false
C8	CD2	LEU- 181	4.45	0	Hydrophobic	false
C3'	CB	LEU- 181	4.23	0	Hydrophobic	false
C2'	CD2	LEU- 181	4.33	0	Hydrophobic	false
O3'	N	GLY- 182	3.08	154.57	H-Bond (Protein Donor)	false
C5'	CB	ASP- 184	4.29	0	Hydrophobic	false
C5'	CG	GLN- 185	3.7	0	Hydrophobic	false