Atomistry » Magnesium » PDB 4mfe-4mpj » 4mit
Atomistry »
  Magnesium »
    PDB 4mfe-4mpj »
      4mit »

Magnesium in PDB 4mit: Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd

Enzymatic activity of Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd

All present enzymatic activity of Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd:
3.6.5.2;

Protein crystallography data

The structure of Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd, PDB code: 4mit was solved by D.E.Bosch, D.P.Siderovski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.90 / 2.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.322, 211.957, 49.780, 90.00, 102.85, 90.00
R / Rfree (%) 17.6 / 22

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Magnesium atom in the Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd (pdb code 4mit). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd, PDB code: 4mit:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 12 in 4mit

Go back to Magnesium Binding Sites List in 4mit
Magnesium binding site 1 out of 12 in the Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd


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 E. Histolytica Racc Bound to the EHPAK4 Pbd within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg202

b:20.9
occ:1.00
 O3G A:GTP201 1.9 23.0 1.0
OG1 A:THR24 1.9 20.4 1.0
O1B A:GTP201 2.0 21.0 1.0
OG1 A:THR42 2.1 24.9 1.0
O A:HOH305 2.2 20.2 1.0
O A:HOH306 2.2 15.3 1.0
PG A:GTP201 3.0 19.5 1.0
CB A:THR24 3.1 22.0 1.0
PB A:GTP201 3.1 22.6 1.0
O3B A:GTP201 3.2 22.1 1.0
CB A:THR42 3.3 21.9 1.0
N A:THR42 3.7 26.5 1.0
N A:THR24 3.8 19.0 1.0
O1A A:GTP201 3.9 21.6 1.0
O1G A:GTP201 4.0 19.7 1.0
CA A:THR24 4.0 19.7 1.0
CA A:THR42 4.1 23.1 1.0
O A:HOH314 4.1 26.7 1.0
O3A A:GTP201 4.1 22.3 1.0
CG2 A:THR24 4.2 20.0 1.0
O A:HOH308 4.2 19.8 1.0
O2G A:GTP201 4.2 20.7 1.0
OD2 A:ASP64 4.2 21.8 1.0
O2B A:GTP201 4.2 22.5 1.0
O A:ILE40 4.3 24.9 1.0
OD1 A:ASP64 4.4 18.9 1.0
CG2 A:THR42 4.4 25.5 1.0
PA A:GTP201 4.4 18.9 1.0
O2A A:GTP201 4.6 22.2 1.0
CG A:ASP64 4.6 25.2 1.0
C A:PRO41 4.7 28.5 1.0
O A:THR65 4.7 21.0 1.0
CA A:PRO41 4.9 25.8 1.0
C A:LYS23 4.9 21.7 1.0
CB A:LYS23 4.9 21.2 1.0

Magnesium binding site 2 out of 12 in 4mit

Go back to Magnesium Binding Sites List in 4mit
Magnesium binding site 2 out of 12 in the Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd


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 E. Histolytica Racc Bound to the EHPAK4 Pbd within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg203

b:30.3
occ:1.00
 O A:HOH329 2.0 40.4 1.0
O A:HOH327 2.0 27.8 1.0
O A:HOH356 2.1 29.9 1.0
OD2 A:ASP72 2.1 25.8 1.0
O A:HOH328 2.2 24.4 1.0
O A:HOH360 2.4 23.1 1.0
CG A:ASP72 3.2 27.7 1.0
CB A:ASP72 3.6 23.4 1.0
O A:HOH335 4.1 32.6 1.0
O A:HOH310 4.2 22.7 1.0
OD1 A:ASP72 4.2 23.4 1.0
NZ A:LYS103 4.5 20.9 1.0
OE1 A:GLN73 4.5 19.1 1.0
OE2 A:GLU69 4.6 44.0 1.0
CE A:LYS103 4.7 22.6 1.0
CB A:GLU69 4.8 31.1 1.0
O A:GLU69 4.9 27.6 1.0

Magnesium binding site 3 out of 12 in 4mit

Go back to Magnesium Binding Sites List in 4mit
Magnesium binding site 3 out of 12 in the Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd


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 E. Histolytica Racc Bound to the EHPAK4 Pbd within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg204

b:35.2
occ:1.00
 N A:LYS114 3.3 32.9 1.0
CD A:PRO113 3.4 32.8 1.0
CA A:ALA112 3.4 28.6 1.0
C A:ALA112 3.5 34.0 1.0
N A:PRO113 3.5 35.7 1.0
CB A:LYS114 3.7 41.0 1.0
CB A:ALA112 3.9 33.5 1.0
CA A:LYS114 3.9 32.1 1.0
CG2 A:VAL115 3.9 29.9 1.0
CG A:PRO113 4.0 36.4 1.0
O A:ALA112 4.1 29.6 1.0
N A:VAL115 4.2 36.7 1.0
C A:LYS114 4.3 39.3 1.0
C A:PRO113 4.3 30.1 1.0
CG A:LYS114 4.4 48.1 1.0
CA A:PRO113 4.5 31.6 1.0
O A:PHE111 4.6 23.2 1.0
N A:ALA112 4.7 27.7 1.0
CB A:VAL115 4.9 31.2 1.0
CB A:PRO113 5.0 34.7 1.0
CD A:LYS114 5.0 53.5 1.0

Magnesium binding site 4 out of 12 in 4mit

Go back to Magnesium Binding Sites List in 4mit
Magnesium binding site 4 out of 12 in the Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd


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 E. Histolytica Racc Bound to the EHPAK4 Pbd within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg202

b:17.9
occ:1.00
 OG1 B:THR24 2.0 18.3 1.0
O3G B:GTP201 2.1 21.5 1.0
OG1 B:THR42 2.1 21.7 1.0
O1B B:GTP201 2.1 19.6 1.0
O B:HOH303 2.2 24.3 1.0
O B:HOH304 2.2 19.8 1.0
CB B:THR24 3.1 21.3 1.0
PG B:GTP201 3.1 19.9 1.0
CB B:THR42 3.2 18.8 1.0
PB B:GTP201 3.2 20.9 1.0
O3B B:GTP201 3.3 24.6 1.0
N B:THR42 3.7 23.5 1.0
N B:THR24 3.9 19.0 1.0
O1G B:GTP201 3.9 21.2 1.0
OD2 B:ASP64 4.0 23.2 1.0
CA B:THR42 4.0 18.4 1.0
CA B:THR24 4.0 21.0 1.0
O1A B:GTP201 4.1 25.5 1.0
CG2 B:THR24 4.1 20.4 1.0
O3A B:GTP201 4.2 22.4 1.0
O B:ILE40 4.3 31.5 1.0
CG2 B:THR42 4.3 19.7 1.0
O B:HOH352 4.3 25.4 1.0
OD1 B:ASP64 4.3 23.3 1.0
O2G B:GTP201 4.3 24.0 1.0
O2B B:GTP201 4.4 21.9 1.0
PA B:GTP201 4.5 19.9 1.0
CG B:ASP64 4.6 22.0 1.0
O B:THR65 4.6 19.5 1.0
O2A B:GTP201 4.7 23.2 1.0
C B:PRO41 4.7 27.2 1.0
O B:HOH335 4.8 27.9 1.0
CA B:PRO41 5.0 28.7 1.0
O B:HOH351 5.0 24.8 1.0
C B:LYS23 5.0 21.2 1.0
CB B:LYS23 5.0 20.7 1.0

Magnesium binding site 5 out of 12 in 4mit

Go back to Magnesium Binding Sites List in 4mit
Magnesium binding site 5 out of 12 in the Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg203

b:24.6
occ:1.00
 O B:HOH333 1.9 30.2 1.0
OD2 B:ASP72 2.1 23.4 1.0
O B:HOH334 2.1 32.0 1.0
O B:HOH331 2.3 24.4 1.0
O B:HOH332 2.3 27.2 1.0
O B:HOH353 2.4 33.2 1.0
CG B:ASP72 3.2 24.4 1.0
CB B:ASP72 3.7 21.1 1.0
OD1 B:ASP72 4.2 26.0 1.0
O B:HOH310 4.3 21.1 1.0
NZ B:LYS103 4.3 20.7 1.0
CE B:LYS103 4.6 23.3 1.0
OE1 B:GLN73 4.6 23.5 1.0

Magnesium binding site 6 out of 12 in 4mit

Go back to Magnesium Binding Sites List in 4mit
Magnesium binding site 6 out of 12 in the Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg204

b:30.8
occ:1.00
 N B:LYS114 3.3 34.9 1.0
C B:ALA112 3.7 28.5 1.0
N B:PRO113 3.7 27.7 1.0
CD B:PRO113 3.7 23.5 1.0
CA B:ALA112 3.7 25.6 1.0
CG2 B:VAL115 3.8 28.9 1.0
CB B:LYS114 3.9 40.9 1.0
CA B:LYS114 4.0 34.3 1.0
N B:VAL115 4.1 33.7 1.0
CB B:ALA112 4.2 27.6 1.0
O B:HOH367 4.2 29.0 1.0
O B:ALA112 4.3 29.6 1.0
CG B:PRO113 4.3 27.1 1.0
C B:LYS114 4.3 37.3 1.0
C B:PRO113 4.4 29.9 1.0
CA B:PRO113 4.6 27.7 1.0
CG B:LYS114 4.8 48.0 1.0
O B:PHE111 4.9 25.8 1.0
CB B:VAL115 4.9 30.8 1.0

Magnesium binding site 7 out of 12 in 4mit

Go back to Magnesium Binding Sites List in 4mit
Magnesium binding site 7 out of 12 in the Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg202

b:33.0
occ:1.00
 O3G C:GTP201 1.9 25.7 1.0
OG1 C:THR24 2.1 25.0 1.0
O1B C:GTP201 2.1 26.0 1.0
OG1 C:THR42 2.1 32.7 1.0
O C:HOH303 2.1 29.1 1.0
O C:HOH304 2.5 28.8 1.0
CB C:THR42 3.1 28.8 1.0
PG C:GTP201 3.1 32.4 1.0
PB C:GTP201 3.2 29.1 1.0
CB C:THR24 3.2 27.8 1.0
O3B C:GTP201 3.4 29.5 1.0
N C:THR42 3.8 33.0 1.0
N C:THR24 4.0 29.5 1.0
O C:HOH311 4.0 33.9 1.0
O1G C:GTP201 4.0 30.8 1.0
CA C:THR42 4.0 31.5 1.0
OD2 C:ASP64 4.1 33.1 1.0
CA C:THR24 4.1 25.6 1.0
CG2 C:THR42 4.1 29.4 1.0
O2B C:GTP201 4.1 34.0 1.0
OD1 C:ASP64 4.2 27.2 1.0
O3A C:GTP201 4.3 30.1 1.0
O2G C:GTP201 4.3 25.3 1.0
CG2 C:THR24 4.3 23.9 1.0
O1A C:GTP201 4.3 33.1 1.0
O C:THR65 4.3 33.0 1.0
CG C:ASP64 4.4 31.1 1.0
O C:ILE40 4.5 32.9 1.0
PA C:GTP201 4.6 32.7 1.0
O2A C:GTP201 4.8 27.1 1.0
C C:PRO41 4.8 33.0 1.0
CB C:LYS23 4.9 27.8 1.0
NZ C:LYS23 5.0 27.4 1.0
CE C:LYS23 5.0 26.3 1.0

Magnesium binding site 8 out of 12 in 4mit

Go back to Magnesium Binding Sites List in 4mit
Magnesium binding site 8 out of 12 in the Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg203

b:28.3
occ:1.00
 OD2 C:ASP72 2.1 29.8 1.0
O C:HOH341 2.1 33.2 1.0
O C:HOH332 2.2 31.2 1.0
O C:HOH327 2.2 24.7 1.0
O C:HOH320 2.3 32.2 1.0
CG C:ASP72 3.0 26.5 1.0
CB C:ASP72 3.5 25.5 1.0
OD1 C:ASP72 4.1 23.7 1.0
O C:HOH321 4.2 24.9 1.0
NZ C:LYS103 4.4 30.1 1.0
OE2 C:GLU69 4.4 53.1 1.0
OE1 C:GLN73 4.6 29.8 1.0
CE C:LYS103 4.7 33.1 1.0
CB C:GLU69 4.8 41.3 1.0
O C:GLU69 5.0 36.4 1.0
CA C:ASP72 5.0 24.3 1.0

Magnesium binding site 9 out of 12 in 4mit

Go back to Magnesium Binding Sites List in 4mit
Magnesium binding site 9 out of 12 in the Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg204

b:27.3
occ:1.00
 N C:LYS114 3.4 27.0 1.0
CD C:PRO113 3.6 25.4 1.0
CA C:ALA112 3.6 25.4 1.0
C C:ALA112 3.6 28.0 1.0
N C:PRO113 3.7 26.2 1.0
CB C:LYS114 3.8 33.1 1.0
CA C:LYS114 4.1 28.8 1.0
CB C:ALA112 4.1 26.5 1.0
O C:ALA112 4.2 24.0 1.0
CG C:PRO113 4.2 27.0 1.0
CG2 C:VAL115 4.3 25.1 1.0
CG C:LYS114 4.4 37.1 1.0
N C:VAL115 4.4 26.5 1.0
C C:PRO113 4.5 26.2 1.0
C C:LYS114 4.5 31.1 1.0
CA C:PRO113 4.6 29.0 1.0
O C:PHE111 4.7 29.8 1.0
N C:ALA112 4.9 19.9 1.0
CD C:LYS114 4.9 47.7 1.0

Magnesium binding site 10 out of 12 in 4mit

Go back to Magnesium Binding Sites List in 4mit
Magnesium binding site 10 out of 12 in the Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of E. Histolytica Racc Bound to the EHPAK4 Pbd within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg202

b:29.4
occ:1.00
 O3G D:GTP201 2.0 25.8 1.0
O1B D:GTP201 2.0 25.8 1.0
OG1 D:THR24 2.0 25.1 1.0
O D:HOH341 2.1 24.1 1.0
OG1 D:THR42 2.1 29.5 1.0
O D:HOH302 2.1 28.0 1.0
PG D:GTP201 3.0 32.6 1.0
CB D:THR42 3.0 28.1 1.0
PB D:GTP201 3.1 25.9 1.0
CB D:THR24 3.3 28.7 1.0
O1G D:GTP201 3.4 30.0 1.0
O3B D:GTP201 3.4 26.3 1.0
N D:THR42 3.8 24.6 1.0
N D:THR24 3.9 32.8 1.0
OD2 D:ASP64 3.9 33.2 1.0
OD1 D:ASP64 4.0 26.8 1.0
CA D:THR42 4.0 26.4 1.0
O2B D:GTP201 4.1 31.1 1.0
CA D:THR24 4.1 26.2 1.0
CG2 D:THR42 4.1 23.0 1.0
O D:THR65 4.2 25.5 1.0
CG D:ASP64 4.3 29.0 1.0
O3A D:GTP201 4.3 30.4 1.0
CG2 D:THR24 4.4 24.1 1.0
O2G D:GTP201 4.4 22.8 1.0
O1A D:GTP201 4.4 30.6 1.0
O D:HOH342 4.5 26.9 1.0
NZ D:LYS23 4.7 30.4 1.0
CB D:LYS23 4.7 26.7 1.0
PA D:GTP201 4.7 26.6 1.0
O2A D:GTP201 4.8 22.8 1.0
O D:ILE40 4.8 27.6 1.0
CE D:LYS23 4.8 27.8 1.0
C D:LYS23 4.9 29.1 1.0
C D:PRO41 4.9 28.6 1.0

Reference:

D.E.Bosch, D.P.Siderovski. Entamoeba Histolytica Racc Selectively Engages P21-Activated Kinase Effectors To Be Published.
Page generated: Mon Dec 14 19:12:48 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy