Sodium in PDB 8p5j: Kinase Domain of Mutant Human ULK1 in Complex with Compound WZ4003

Enzymatic activity of Kinase Domain of Mutant Human ULK1 in Complex with Compound WZ4003

All present enzymatic activity of Kinase Domain of Mutant Human ULK1 in Complex with Compound WZ4003:
2.7.11.1;

Protein crystallography data

The structure of Kinase Domain of Mutant Human ULK1 in Complex with Compound WZ4003, PDB code: 8p5j was solved by T.Battista, M.S.Semrau, A.Heroux, G.Lolli, P.Storici, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.28 / 2.16
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.09, 96.09, 108.9, 90, 90, 90
R / Rfree (%) 16.8 / 20

Other elements in 8p5j:

The structure of Kinase Domain of Mutant Human ULK1 in Complex with Compound WZ4003 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Magnesium (Mg) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Kinase Domain of Mutant Human ULK1 in Complex with Compound WZ4003 (pdb code 8p5j). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Kinase Domain of Mutant Human ULK1 in Complex with Compound WZ4003, PDB code: 8p5j:

Sodium binding site 1 out of 1 in 8p5j

Go back to Sodium Binding Sites List in 8p5j
Sodium binding site 1 out of 1 in the Kinase Domain of Mutant Human ULK1 in Complex with Compound WZ4003


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Kinase Domain of Mutant Human ULK1 in Complex with Compound WZ4003 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na303

b:52.2
occ:1.00
 HH B:TYR171 1.7 42.3 0.0
HG A:SER174 2.0 36.6 0.0
OH B:TYR171 2.5 42.3 1.0
O B:HOH421 2.6 53.6 1.0
HE1 B:TYR171 2.7 36.4 1.0
OG A:SER174 2.7 36.5 1.0
HB3 A:ASN175 2.8 42.8 1.0
HB3 B:GLU69 2.9 51.2 1.0
HD2 B:LYS132 3.2 45.4 1.0
HB3 B:LYS132 3.2 33.0 1.0
CE1 B:TYR171 3.3 36.5 1.0
HG3 B:GLU69 3.4 52.5 1.0
CZ B:TYR171 3.4 37.9 1.0
HD13 B:ILE134 3.4 36.6 1.0
HZ2 B:LYS132 3.5 57.4 1.0
HB2 B:GLU69 3.5 51.1 1.0
CB B:GLU69 3.6 52.1 1.0
N A:ASN175 3.6 38.8 1.0
CB A:ASN175 3.7 41.8 1.0
H A:ASN175 3.7 40.3 1.0
C A:SER174 3.7 40.0 1.0
CB A:SER174 3.8 37.2 1.0
HB2 A:SER174 3.8 37.5 1.0
CG B:GLU69 3.9 51.1 1.0
HA A:ASN175 3.9 42.8 1.0
CA A:ASN175 3.9 44.6 1.0
O A:SER174 4.0 39.8 1.0
CD B:LYS132 4.1 45.8 1.0
CB B:LYS132 4.1 32.1 1.0
HG3 B:LYS132 4.2 38.0 1.0
NZ B:LYS132 4.3 58.8 1.0
CA A:SER174 4.3 39.2 1.0
HB2 A:ASN175 4.3 42.8 1.0
CD1 B:ILE134 4.3 38.0 1.0
CG B:LYS132 4.4 37.2 1.0
CG A:ASN175 4.4 43.4 1.0
HZ1 B:LYS132 4.5 57.4 1.0
OE1 B:GLU69 4.5 61.1 1.0
CD B:GLU69 4.6 56.7 1.0
HD12 B:ILE134 4.6 36.6 1.0
CE B:LYS132 4.6 54.8 1.0
HE3 B:LYS132 4.6 53.2 1.0
HB3 A:SER174 4.6 37.5 1.0
CD1 B:TYR171 4.6 34.3 1.0
O B:LYS132 4.6 33.8 1.0
HB2 B:LYS132 4.7 32.9 1.0
O B:GLU69 4.7 58.0 1.0
CE2 B:TYR171 4.7 37.2 1.0
OD1 A:ASN175 4.7 41.7 1.0
HG2 B:GLU69 4.7 52.6 1.0
HG13 B:ILE134 4.8 33.9 1.0
H A:SER174 4.8 35.4 1.0
HD3 B:LYS132 4.8 45.4 1.0
HA B:LYS132 4.8 31.9 1.0
HD11 B:ILE134 4.9 36.6 1.0
HD21 B:LEU70 4.9 55.6 1.0
N A:SER174 4.9 33.1 1.0
CA B:GLU69 4.9 48.8 1.0
HZ3 B:LYS132 5.0 57.5 1.0
HD1 B:TYR171 5.0 35.2 1.0

Reference:

T.Battista, M.S.Semrau, G.Lolli, P.Storici. Crystal Structures of ULK1 in Complex with Kcgs Compounds To Be Published.
Page generated: Wed Oct 9 12:54:20 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy