scPDB - 3ftx entry

Protein Data Bank Entry:

PDB ID : 3ftx

Resolution :1.960 Å

Experimental Method : X-ray

Deposition Date : 2009-01-13

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Leukotriene A-4 hydrolase
ID:	LKHA4_HUMAN
AC:	P09960
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	3.3.2.6

Chains:

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

Ligand binding site composition:

B-Factor:	17.503
Number of residues:	29
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.306	2247.750

% Hydrophobic	% Polar
37.54	62.46
According to VolSite

Ligand :

HET Code:	RE2
Formula:	C14H14O3
Molecular weight:	230.259 g/mol
DrugBank ID:	DB08466
Buried Surface Area:	81.98 %
Polar Surface area:	60.69 Å2

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

Mass center Coordinates

X	Y	Z
15.4499	-2.13459	3.55329

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
C12	CB	ALA- 137	3.9	0	Hydrophobic	false
C10	CB	TRP- 311	3.9	0	Hydrophobic	false
C7	CD2	PHE- 314	3.75	0	Hydrophobic	false
C10	CB	PHE- 314	3.78	0	Hydrophobic	false
C2	CB	PHE- 362	4.04	0	Hydrophobic	false
O17	O	LYS- 364	2.62	154.08	H-Bond (Ligand Donor)	false
C8	CG2	VAL- 367	4.44	0	Hydrophobic	false
C6	CG2	VAL- 367	4.43	0	Hydrophobic	false
C4	CG1	VAL- 367	3.36	0	Hydrophobic	false
C8	CD1	LEU- 369	3.81	0	Hydrophobic	false
C13	CB	PRO- 374	3.65	0	Hydrophobic	false
C8	CB	ALA- 377	4.46	0	Hydrophobic	false
C13	CB	TYR- 378	3.71	0	Hydrophobic	false
O16	OG	SER- 379	3.03	142.06	H-Bond (Protein Donor)	false
C2	CB	VAL- 381	4.12	0	Hydrophobic	false
C3	CG1	VAL- 381	3.74	0	Hydrophobic	false
C6	CG	PRO- 382	3.63	0	Hydrophobic	false
C5	CG	PRO- 382	3.63	0	Hydrophobic	false