Atomistry » Magnesium » PDB 5wu4-5x8a » 5x2a
Atomistry »
  Magnesium »
    PDB 5wu4-5x8a »
      5x2a »

Magnesium in PDB 5x2a: Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3)

Enzymatic activity of Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3)

All present enzymatic activity of Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3):
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3), PDB code: 5x2a was solved by C.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.49 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 72.185, 103.973, 87.150, 90.00, 101.40, 90.00
R / Rfree (%) 17.4 / 21.9

Other elements in 5x2a:

The structure of Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3) (pdb code 5x2a). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3), PDB code: 5x2a:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5x2a

Go back to Magnesium Binding Sites List in 5x2a
Magnesium binding site 1 out of 4 in the Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1109

b:31.5
occ:0.45
 O2A A:ANP1108 2.3 39.8 0.5
O2B A:ANP1108 2.5 37.0 0.5
OD1 A:ASN842 2.7 26.7 1.0
O A:ARG841 3.3 18.5 1.0
CAA A:7XO1107 3.4 32.3 0.9
PA A:ANP1108 3.5 38.5 0.5
CG2 A:THR854 3.6 18.9 1.0
PB A:ANP1108 3.8 26.6 0.5
O A:HOH1247 3.8 31.0 1.0
CG A:ASN842 3.9 25.1 1.0
NAV A:7XO1107 3.9 30.9 0.9
CBD A:7XO1107 3.9 31.8 0.9
OD2 A:ASP855 3.9 41.2 1.0
CA A:ASN842 4.0 14.0 1.0
O5' A:ANP1108 4.0 30.9 0.5
O3A A:ANP1108 4.1 37.9 0.5
O3G A:ANP1108 4.1 34.7 0.5
CG A:ASP855 4.1 32.2 1.0
C A:ARG841 4.2 19.7 1.0
OD1 A:ASP855 4.3 35.2 1.0
C8 A:7XO1107 4.4 23.0 0.9
N9 A:7XO1107 4.5 21.7 0.9
CB A:ASN842 4.5 15.1 1.0
N A:ASN842 4.5 18.3 1.0
O1B A:ANP1108 4.6 35.7 0.5
CAH A:7XO1107 4.7 38.5 0.9
C5' A:ANP1108 4.7 29.6 0.5
CAW A:7XO1107 4.8 30.8 0.9
O1A A:ANP1108 4.8 39.4 0.5
CB A:ASP855 4.8 24.8 1.0
NZ A:LYS745 4.9 40.8 1.0
ND2 A:ASN842 4.9 20.1 1.0
N3B A:ANP1108 5.0 31.0 0.5
C A:ASN842 5.0 16.9 1.0

Magnesium binding site 2 out of 4 in 5x2a

Go back to Magnesium Binding Sites List in 5x2a
Magnesium binding site 2 out of 4 in the Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1107

b:33.0
occ:0.60
 O1A B:ANP1106 2.4 33.5 0.6
O1B B:ANP1106 2.5 38.9 0.6
OD1 B:ASN842 3.0 28.2 1.0
CG2 B:THR854 3.4 17.3 1.0
O B:ARG841 3.5 19.2 1.0
PA B:ANP1106 3.6 37.5 0.6
OD2 B:ASP855 3.7 44.0 1.0
PB B:ANP1106 3.9 35.0 0.6
O1G B:ANP1106 3.9 36.8 0.6
C8 B:ANP1106 3.9 24.8 1.0
CG B:ASP855 3.9 32.6 1.0
O5' B:ANP1106 4.0 29.8 0.6
OD1 B:ASP855 4.0 38.0 1.0
C2' B:ANP1106 4.1 34.9 1.0
O3A B:ANP1106 4.1 36.6 0.6
CA B:ASN842 4.2 13.6 1.0
CG B:ASN842 4.2 26.1 1.0
O B:HOH1332 4.3 35.4 1.0
C B:ARG841 4.5 18.2 1.0
O B:HOH1395 4.6 40.8 1.0
NZ B:LYS745 4.6 32.6 1.0
N9 B:ANP1106 4.7 27.0 1.0
CB B:ASN842 4.7 14.4 1.0
N7 B:ANP1106 4.7 27.4 1.0
O2B B:ANP1106 4.7 35.6 0.6
CD2 B:LEU844 4.7 20.8 1.0
N B:ASN842 4.8 16.3 1.0
C3' B:ANP1106 4.8 34.5 0.6
O2' B:ANP1106 4.8 41.2 1.0
C5' B:ANP1106 4.8 26.9 0.6
CB B:ASP855 4.9 18.0 1.0
CB B:THR854 4.9 17.2 1.0
O2A B:ANP1106 4.9 34.8 0.6
N3B B:ANP1106 4.9 32.7 0.6
C1' B:ANP1106 5.0 33.2 1.0

Magnesium binding site 3 out of 4 in 5x2a

Go back to Magnesium Binding Sites List in 5x2a
Magnesium binding site 3 out of 4 in the Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1101

b:54.6
occ:1.00
 O D:HOH1289 2.3 30.7 1.0
O1G D:ANP1102 2.4 35.3 0.7
O1A D:ANP1102 2.6 46.4 0.7
O2A D:ANP1102 2.8 40.1 0.7
MG D:MG1103 2.8 42.7 0.7
PA D:ANP1102 2.9 42.5 0.7
CE D:LYS745 2.9 44.3 1.0
O3A D:ANP1102 3.3 45.4 0.7
NZ D:LYS745 3.4 43.2 1.0
OD1 D:ASP855 3.6 49.5 1.0
PG D:ANP1102 3.8 30.3 0.7
O1B D:ANP1102 3.9 42.5 0.7
CD1 D:LEU858 4.0 36.4 1.0
CG D:ASP855 4.0 43.9 1.0
CD2 D:PHE723 4.0 43.9 1.0
CB D:PHE723 4.1 44.7 1.0
PB D:ANP1102 4.1 40.5 0.7
CD D:LYS745 4.2 33.9 1.0
OD2 D:ASP855 4.3 52.6 1.0
O5' D:ANP1102 4.4 40.0 1.0
N3B D:ANP1102 4.4 24.6 0.7
O2G D:ANP1102 4.5 36.5 0.7
N D:PHE723 4.5 37.2 1.0
CG D:PHE723 4.6 41.1 1.0
N D:GLY724 4.6 35.4 1.0
CA D:GLY721 4.7 40.1 1.0
CA D:PHE723 4.7 37.6 1.0
O D:GLY724 4.8 37.7 1.0
CB D:ASP855 4.9 37.2 1.0
O3G D:ANP1102 4.9 24.0 0.7
C D:PHE723 5.0 37.1 1.0
N D:GLY721 5.0 38.9 1.0
OD1 D:ASN842 5.0 40.1 1.0

Magnesium binding site 4 out of 4 in 5x2a

Go back to Magnesium Binding Sites List in 5x2a
Magnesium binding site 4 out of 4 in the Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Egfr 696-1022 T790M/V948R in Complex with Sklb(3) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1103

b:42.7
occ:0.70
 OD2 D:ASP855 2.2 52.6 1.0
CG D:ASP855 2.2 43.9 1.0
OD1 D:ASN842 2.4 40.1 1.0
O2A D:ANP1102 2.6 40.1 0.7
CB D:ASP855 2.8 37.2 1.0
OD1 D:ASP855 2.8 49.5 1.0
O1G D:ANP1102 2.8 35.3 0.7
MG D:MG1101 2.8 54.6 1.0
O1B D:ANP1102 3.0 42.5 0.7
CG D:ASN842 3.4 36.7 1.0
ND2 D:ASN842 3.7 29.2 1.0
PA D:ANP1102 3.8 42.5 0.7
O D:HOH1206 4.0 40.2 1.0
PG D:ANP1102 4.0 30.3 0.7
PB D:ANP1102 4.1 40.5 0.7
O3G D:ANP1102 4.2 24.0 0.7
CA D:ASP855 4.2 37.0 1.0
O3A D:ANP1102 4.2 45.4 0.7
OD2 D:ASP837 4.4 34.0 1.0
NZ D:LYS745 4.4 43.2 1.0
O1A D:ANP1102 4.4 46.4 0.7
CD1 D:LEU858 4.4 36.4 1.0
N3B D:ANP1102 4.6 24.6 0.7
CB D:ASN842 4.6 28.4 1.0
CE D:LYS745 4.6 44.3 1.0
O D:HOH1334 4.7 33.7 1.0
CG2 D:THR854 4.7 34.3 1.0
N D:ASP855 4.9 28.8 1.0
O D:THR854 4.9 27.1 1.0
O D:HOH1289 5.0 30.7 1.0
O5' D:ANP1102 5.0 40.0 1.0
O D:ASP855 5.0 42.1 1.0

Reference:

S.J.Zhu, P.Zhao, J.Yang, R.Ma, X.E.Yan, S.Y.Yang, J.W.Yang, C.H.Yun. Structural Insights Into Drug Development Strategy Targeting Egfr T790M/C797S. Oncotarget V. 9 13652 2018.
ISSN: ESSN 1949-2553
PubMed: 29568384
DOI: 10.18632/ONCOTARGET.24113
Page generated: Tue Aug 12 23:17:10 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy