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Magnesium in PDB 2ov2: The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)

Enzymatic activity of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)

All present enzymatic activity of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4):
2.7.11.1;

Protein crystallography data

The structure of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4), PDB code: 2ov2 was solved by E.Ugochukwu, X.Yang, J.M.Elkins, N.Burgess-Brown, G.Bunkoczi, J.E.D.Debreczeni, M.Sundstrom, C.H.Arrowsmith, J.Weigelt, A.Edwards, F.Von Delft, S.Knapp, D.A.Doyle, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 62.11 / 2.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 50.843, 73.859, 133.840, 88.58, 87.76, 70.64
R / Rfree (%) 17.2 / 22.5

Other elements in 2ov2:

The structure of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) (pdb code 2ov2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4), PDB code: 2ov2:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 2ov2

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Magnesium binding site 1 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg202

b:27.4
occ:1.00
O1G A:GCP200 2.0 25.6 1.0
O2B A:GCP200 2.0 23.2 1.0
O A:HOH1250 2.1 22.3 1.0
OG1 A:THR17 2.1 38.2 1.0
OG1 A:THR35 2.2 34.5 1.0
O A:HOH1222 2.2 26.4 1.0
CB A:THR17 3.2 35.8 1.0
CB A:THR35 3.2 34.8 1.0
PB A:GCP200 3.3 20.1 1.0
PG A:GCP200 3.3 26.7 1.0
C3B A:GCP200 3.6 24.8 1.0
N A:THR35 3.8 35.1 1.0
N A:THR17 3.9 36.1 1.0
CA A:THR17 4.1 36.1 1.0
O2A A:GCP200 4.1 20.5 1.0
O2G A:GCP200 4.1 29.4 1.0
O A:HOH1301 4.1 32.8 1.0
CA A:THR35 4.1 34.8 1.0
OD1 A:ASP57 4.2 35.6 1.0
OD2 A:ASP57 4.2 38.6 1.0
CG2 A:THR17 4.2 35.7 1.0
CG2 A:THR35 4.3 34.6 1.0
O3A A:GCP200 4.3 23.0 1.0
O1B A:GCP200 4.4 23.3 1.0
O3G A:GCP200 4.4 24.7 1.0
PA A:GCP200 4.5 24.4 1.0
O A:ILE33 4.5 36.0 1.0
CG A:ASP57 4.5 36.6 1.0
O1A A:GCP200 4.7 22.8 1.0
C A:PRO34 4.7 35.2 1.0
O A:THR58 4.7 37.8 1.0
CA A:PRO34 4.9 35.6 1.0
CB A:LYS16 4.9 36.3 1.0
C A:LYS16 5.0 36.5 1.0
O A:HOH1311 5.0 46.0 1.0

Magnesium binding site 2 out of 8 in 2ov2

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Magnesium binding site 2 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg202

b:28.7
occ:1.00
O2G F:GCP200 1.9 25.0 1.0
O F:HOH1334 2.0 21.2 1.0
O F:HOH1302 2.1 24.1 1.0
O1B F:GCP200 2.1 23.1 1.0
OG1 F:THR17 2.2 34.0 1.0
OG1 F:THR35 2.2 36.6 1.0
CB F:THR35 3.1 35.9 1.0
PG F:GCP200 3.2 26.6 1.0
PB F:GCP200 3.3 25.2 1.0
CB F:THR17 3.3 36.4 1.0
C3B F:GCP200 3.5 26.2 1.0
N F:THR35 3.8 35.9 1.0
OD2 F:ASP57 4.0 37.4 1.0
O3G F:GCP200 4.0 27.3 1.0
N F:THR17 4.0 36.6 1.0
CA F:THR35 4.1 35.9 1.0
OD1 F:ASP57 4.2 41.8 1.0
CA F:THR17 4.2 36.2 1.0
CG2 F:THR35 4.2 35.8 1.0
O1A F:GCP200 4.3 26.3 1.0
O2B F:GCP200 4.3 26.6 1.0
CG2 F:THR17 4.4 34.6 1.0
O1G F:GCP200 4.4 26.2 1.0
O3A F:GCP200 4.4 24.4 1.0
CG F:ASP57 4.4 38.9 1.0
O F:THR58 4.5 36.0 1.0
C F:PRO34 4.6 35.7 1.0
O F:HOH1361 4.6 41.8 1.0
PA F:GCP200 4.6 26.6 1.0
O F:ILE33 4.7 36.1 1.0
CA F:PRO34 4.7 35.8 1.0
O2A F:GCP200 4.7 26.2 1.0
CB F:LYS16 4.9 35.7 1.0

Magnesium binding site 3 out of 8 in 2ov2

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Magnesium binding site 3 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg202

b:23.3
occ:1.00
O2B B:GCP200 2.0 24.8 1.0
O B:HOH1253 2.0 18.9 1.0
O1G B:GCP200 2.0 24.9 1.0
OG1 B:THR17 2.1 34.7 1.0
OG1 B:THR35 2.1 34.1 1.0
O B:HOH1220 2.3 21.6 1.0
CB B:THR35 3.0 34.7 1.0
PB B:GCP200 3.2 23.2 1.0
CB B:THR17 3.2 35.6 1.0
PG B:GCP200 3.2 24.5 1.0
C3B B:GCP200 3.5 22.2 1.0
N B:THR35 3.7 34.3 1.0
N B:THR17 3.9 35.9 1.0
O3G B:GCP200 4.0 23.5 1.0
CA B:THR35 4.0 34.8 1.0
OD1 B:ASP57 4.1 40.6 1.0
O2A B:GCP200 4.1 25.0 1.0
CA B:THR17 4.2 35.8 1.0
OD2 B:ASP57 4.2 36.2 1.0
O1B B:GCP200 4.2 22.6 1.0
CG2 B:THR35 4.2 33.7 1.0
CG2 B:THR17 4.3 33.1 1.0
O B:HOH1215 4.3 25.6 1.0
O3A B:GCP200 4.4 22.4 1.0
O2G B:GCP200 4.4 22.9 1.0
CG B:ASP57 4.5 37.7 1.0
O B:THR58 4.5 36.2 1.0
PA B:GCP200 4.5 24.6 1.0
O1A B:GCP200 4.6 23.2 1.0
O B:ILE33 4.6 34.4 1.0
C B:PRO34 4.7 35.2 1.0
CB B:LYS16 4.8 35.4 1.0
CA B:PRO34 4.8 35.1 1.0
C B:LYS16 5.0 35.9 1.0

Magnesium binding site 4 out of 8 in 2ov2

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Magnesium binding site 4 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg202

b:24.7
occ:1.00
OG1 C:THR35 2.0 38.0 1.0
OG1 C:THR17 2.0 34.2 1.0
O3G C:GCP200 2.0 22.6 1.0
O1B C:GCP200 2.1 26.7 1.0
O C:HOH1308 2.1 23.2 1.0
O C:HOH1360 2.2 21.9 1.0
CB C:THR35 3.1 36.7 1.0
CB C:THR17 3.1 36.0 1.0
PG C:GCP200 3.3 24.1 1.0
PB C:GCP200 3.3 23.8 1.0
C3B C:GCP200 3.6 24.0 1.0
N C:THR35 3.8 36.0 1.0
N C:THR17 3.8 36.9 1.0
O1G C:GCP200 3.9 26.3 1.0
O C:HOH1356 4.0 34.8 1.0
OD1 C:ASP57 4.0 44.0 1.0
CA C:THR35 4.0 36.4 1.0
CA C:THR17 4.0 36.5 1.0
OD2 C:ASP57 4.1 42.8 1.0
CG2 C:THR35 4.1 36.2 1.0
CG2 C:THR17 4.2 36.0 1.0
O1A C:GCP200 4.3 24.7 1.0
O3A C:GCP200 4.4 24.4 1.0
O2B C:GCP200 4.4 25.5 1.0
CG C:ASP57 4.4 40.3 1.0
O2G C:GCP200 4.5 23.6 1.0
O C:THR58 4.5 38.1 1.0
PA C:GCP200 4.6 25.1 1.0
O2A C:GCP200 4.7 22.9 1.0
O C:ILE33 4.7 35.7 1.0
C C:PRO34 4.7 35.6 1.0
CB C:LYS16 4.8 37.4 1.0
CE C:LYS16 4.8 35.6 1.0
C C:LYS16 4.9 36.8 1.0

Magnesium binding site 5 out of 8 in 2ov2

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Magnesium binding site 5 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg202

b:25.7
occ:1.00
OG1 G:THR35 2.0 35.1 1.0
O G:HOH236 2.1 26.9 1.0
OG1 G:THR17 2.1 37.9 1.0
O3G G:GCP200 2.1 27.9 1.0
O1B G:GCP200 2.1 19.8 1.0
O G:HOH249 2.2 26.8 1.0
CB G:THR35 3.1 35.3 1.0
CB G:THR17 3.1 37.1 1.0
PG G:GCP200 3.4 27.4 1.0
PB G:GCP200 3.5 25.7 1.0
N G:THR35 3.6 35.1 1.0
C3B G:GCP200 3.8 25.2 1.0
OD1 G:ASP57 3.9 37.8 1.0
CA G:THR35 3.9 35.4 1.0
N G:THR17 4.0 37.6 1.0
OD2 G:ASP57 4.0 37.4 1.0
O G:HOH269 4.1 42.3 1.0
CA G:THR17 4.1 37.0 1.0
O1G G:GCP200 4.1 28.3 1.0
CG2 G:THR17 4.2 34.0 1.0
CG2 G:THR35 4.2 33.9 1.0
O1A G:GCP200 4.3 22.2 1.0
CG G:ASP57 4.3 38.3 1.0
O G:THR58 4.4 38.5 1.0
O2G G:GCP200 4.5 28.1 1.0
O2B G:GCP200 4.5 22.5 1.0
C G:PRO34 4.6 35.5 1.0
O G:ILE33 4.6 36.4 1.0
O3A G:GCP200 4.6 25.2 1.0
PA G:GCP200 4.8 24.2 1.0
CA G:PRO34 4.8 35.5 1.0
O2A G:GCP200 4.9 24.2 1.0
O G:HOH252 4.9 46.2 1.0
CB G:LYS16 4.9 36.3 1.0

Magnesium binding site 6 out of 8 in 2ov2

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Magnesium binding site 6 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg202

b:28.5
occ:1.00
O1B D:GCP200 2.0 26.0 1.0
O2G D:GCP200 2.0 30.0 1.0
O D:HOH1328 2.1 21.9 1.0
OG1 D:THR17 2.1 33.3 1.0
OG1 D:THR35 2.2 36.6 1.0
O D:HOH1317 2.2 28.7 1.0
CB D:THR17 3.1 35.5 1.0
PB D:GCP200 3.2 27.3 1.0
CB D:THR35 3.2 35.7 1.0
PG D:GCP200 3.2 28.5 1.0
C3B D:GCP200 3.4 26.5 1.0
N D:THR35 3.8 35.6 1.0
N D:THR17 3.9 36.3 1.0
O1A D:GCP200 3.9 25.5 1.0
O1G D:GCP200 4.0 24.9 1.0
CA D:THR17 4.1 35.9 1.0
OD1 D:ASP57 4.1 39.9 1.0
CA D:THR35 4.1 35.9 1.0
OD2 D:ASP57 4.2 38.9 1.0
CG2 D:THR17 4.2 34.0 1.0
O2B D:GCP200 4.2 27.8 1.0
O3A D:GCP200 4.2 24.2 1.0
O D:HOH1374 4.3 34.9 1.0
CG2 D:THR35 4.3 34.5 1.0
O3G D:GCP200 4.4 24.8 1.0
PA D:GCP200 4.4 28.9 1.0
O2A D:GCP200 4.5 26.9 1.0
O D:ILE33 4.5 36.1 1.0
CG D:ASP57 4.5 38.4 1.0
O D:THR58 4.6 36.3 1.0
C D:PRO34 4.7 36.1 1.0
CB D:LYS16 4.8 36.2 1.0
CA D:PRO34 4.9 35.9 1.0
C D:LYS16 4.9 36.8 1.0

Magnesium binding site 7 out of 8 in 2ov2

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Magnesium binding site 7 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg202

b:28.0
occ:1.00
O3G E:GCP200 1.9 28.1 1.0
OG1 E:THR17 2.1 37.1 1.0
O1B E:GCP200 2.1 24.1 1.0
O E:HOH1242 2.1 24.3 1.0
O E:HOH1249 2.1 23.0 1.0
OG1 E:THR35 2.2 35.7 1.0
CB E:THR17 3.1 36.4 1.0
PG E:GCP200 3.2 28.3 1.0
PB E:GCP200 3.3 24.6 1.0
CB E:THR35 3.3 36.4 1.0
C3B E:GCP200 3.6 24.9 1.0
N E:THR35 3.8 36.0 1.0
N E:THR17 3.9 36.4 1.0
CA E:THR17 4.1 36.5 1.0
O2G E:GCP200 4.1 28.9 1.0
OD2 E:ASP57 4.1 38.7 1.0
O1A E:GCP200 4.1 23.7 1.0
OD1 E:ASP57 4.1 35.6 1.0
O E:HOH1218 4.2 31.9 1.0
CA E:THR35 4.2 35.7 1.0
CG2 E:THR17 4.2 35.3 1.0
O3A E:GCP200 4.3 23.0 1.0
O1G E:GCP200 4.3 26.6 1.0
O2B E:GCP200 4.4 20.4 1.0
CG2 E:THR35 4.4 36.2 1.0
CG E:ASP57 4.5 36.8 1.0
PA E:GCP200 4.5 25.9 1.0
O E:ILE33 4.5 36.4 1.0
O E:THR58 4.5 36.8 1.0
C E:PRO34 4.6 35.8 1.0
O2A E:GCP200 4.7 25.4 1.0
CB E:LYS16 4.8 36.0 1.0
CA E:PRO34 4.8 35.9 1.0
C E:LYS16 4.9 36.1 1.0
NZ E:LYS16 5.0 31.8 1.0

Magnesium binding site 8 out of 8 in 2ov2

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Magnesium binding site 8 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg202

b:27.8
occ:1.00
O2B H:GCP200 1.9 25.1 1.0
O1G H:GCP200 1.9 29.6 1.0
O H:HOH263 2.1 28.8 1.0
OG1 H:THR35 2.1 35.7 1.0
O H:HOH217 2.2 24.8 1.0
OG1 H:THR17 2.2 37.7 1.0
PG H:GCP200 3.2 29.5 1.0
CB H:THR35 3.2 35.9 1.0
PB H:GCP200 3.2 28.1 1.0
CB H:THR17 3.2 37.3 1.0
C3B H:GCP200 3.5 28.9 1.0
N H:THR35 3.7 35.7 1.0
N H:THR17 3.9 36.6 1.0
O1A H:GCP200 3.9 27.5 1.0
O2G H:GCP200 4.0 28.6 1.0
CA H:THR35 4.1 35.8 1.0
CA H:THR17 4.1 36.8 1.0
OD2 H:ASP57 4.2 40.5 1.0
OD1 H:ASP57 4.2 37.5 1.0
O1B H:GCP200 4.3 25.6 1.0
CG2 H:THR35 4.3 35.3 1.0
O3G H:GCP200 4.3 31.7 1.0
O3A H:GCP200 4.3 26.6 1.0
CG2 H:THR17 4.3 36.6 1.0
PA H:GCP200 4.5 26.8 1.0
CG H:ASP57 4.6 38.9 1.0
O H:THR58 4.6 38.7 1.0
C H:PRO34 4.6 35.8 1.0
O H:ILE33 4.7 36.2 1.0
O2A H:GCP200 4.8 28.9 1.0
CA H:PRO34 4.8 35.4 1.0
CB H:LYS16 4.8 36.7 1.0
C H:LYS16 4.9 36.4 1.0
CE H:LYS16 5.0 35.2 1.0

Reference:

E.Ugochukwu, X.Yang, J.M.Elkins, N.Burgess-Brown, S.Knapp, D.A.Doyle. The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) To Be Published.
Page generated: Mon Dec 14 07:33:47 2020

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