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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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 Aug 19 23:12:39 2024

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