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Magnesium in PDB 1am4: Complex Between CDC42HS.Gmppnp and P50 Rhogap (H. Sapiens)

Protein crystallography data

The structure of Complex Between CDC42HS.Gmppnp and P50 Rhogap (H. Sapiens), PDB code: 1am4 was solved by K.Rittinger, P.Walker, S.J.Gamblin, S.J.Smerdon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 12.00 / 2.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 78.110, 78.120, 78.100, 90.01, 90.00, 90.05
R / Rfree (%) n/a / n/a

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Complex Between CDC42HS.Gmppnp and P50 Rhogap (H. Sapiens) (pdb code 1am4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Complex Between CDC42HS.Gmppnp and P50 Rhogap (H. Sapiens), PDB code: 1am4:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 1am4

Go back to Magnesium Binding Sites List in 1am4
Magnesium binding site 1 out of 3 in the Complex Between CDC42HS.Gmppnp and P50 Rhogap (H. Sapiens)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Complex Between CDC42HS.Gmppnp and P50 Rhogap (H. Sapiens) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg679

b:16.6
occ:1.00
OG1 D:THR517 2.2 16.1 1.0
O2B D:GNP678 2.2 10.9 1.0
OG1 D:THR535 2.2 16.9 1.0
O2G D:GNP678 2.2 12.0 1.0
PG D:GNP678 3.3 14.9 1.0
PB D:GNP678 3.3 9.5 1.0
CB D:THR535 3.4 18.2 1.0
CB D:THR517 3.4 18.2 1.0
N3B D:GNP678 3.5 10.1 1.0
N D:THR535 3.5 12.4 1.0
O1G D:GNP678 4.0 12.9 1.0
N D:THR517 4.0 4.2 1.0
CA D:THR535 4.0 11.1 1.0
CA D:PRO534 4.1 11.5 1.0
CA D:THR517 4.1 5.3 1.0
O2A D:GNP678 4.2 11.9 1.0
C D:PRO534 4.3 13.4 1.0
CG2 D:THR535 4.3 20.1 1.0
O1B D:GNP678 4.3 10.7 1.0
O3A D:GNP678 4.3 9.4 1.0
O D:VAL533 4.4 15.0 1.0
CB D:LYS516 4.4 8.0 1.0
O D:THR558 4.4 3.8 1.0
CG2 D:THR517 4.4 16.9 1.0
OD2 D:ASP557 4.5 4.8 1.0
O3G D:GNP678 4.6 10.6 1.0
PA D:GNP678 4.6 13.6 1.0
OD1 D:ASP557 4.7 13.6 1.0
O1A D:GNP678 4.7 9.1 1.0
CG D:ASP557 4.8 7.2 1.0
C D:LYS516 4.9 5.1 1.0
CB D:PRO534 5.0 9.3 1.0
C D:VAL533 5.0 14.4 1.0

Magnesium binding site 2 out of 3 in 1am4

Go back to Magnesium Binding Sites List in 1am4
Magnesium binding site 2 out of 3 in the Complex Between CDC42HS.Gmppnp and P50 Rhogap (H. Sapiens)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Complex Between CDC42HS.Gmppnp and P50 Rhogap (H. Sapiens) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg679

b:16.6
occ:1.00
OG1 E:THR517 2.2 16.1 1.0
O2G E:GNP678 2.2 12.0 1.0
OG1 E:THR535 2.2 16.9 1.0
O2B E:GNP678 2.2 10.9 1.0
PG E:GNP678 3.3 14.9 1.0
PB E:GNP678 3.3 9.6 1.0
CB E:THR535 3.3 18.2 1.0
CB E:THR517 3.4 18.2 1.0
N3B E:GNP678 3.5 10.1 1.0
N E:THR535 3.5 12.4 1.0
O1G E:GNP678 4.0 12.9 1.0
CA E:THR535 4.0 11.2 1.0
N E:THR517 4.0 4.2 1.0
CA E:PRO534 4.1 11.5 1.0
CA E:THR517 4.2 5.3 1.0
O2A E:GNP678 4.2 11.9 1.0
C E:PRO534 4.3 13.4 1.0
CG2 E:THR535 4.3 20.1 1.0
O1B E:GNP678 4.3 10.7 1.0
O3A E:GNP678 4.3 9.4 1.0
CB E:LYS516 4.4 8.0 1.0
CG2 E:THR517 4.4 16.9 1.0
O E:THR558 4.4 3.8 1.0
O E:VAL533 4.5 15.0 1.0
OD2 E:ASP557 4.5 4.8 1.0
O3G E:GNP678 4.6 10.6 1.0
PA E:GNP678 4.6 13.6 1.0
OD1 E:ASP557 4.7 13.6 1.0
O1A E:GNP678 4.7 9.1 1.0
CG E:ASP557 4.8 7.2 1.0
C E:LYS516 4.9 5.0 1.0
CB E:PRO534 4.9 9.3 1.0

Magnesium binding site 3 out of 3 in 1am4

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Magnesium binding site 3 out of 3 in the Complex Between CDC42HS.Gmppnp and P50 Rhogap (H. Sapiens)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Complex Between CDC42HS.Gmppnp and P50 Rhogap (H. Sapiens) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg679

b:16.6
occ:1.00
O2G F:GNP678 2.2 12.0 1.0
OG1 F:THR517 2.2 16.1 1.0
O2B F:GNP678 2.2 10.9 1.0
OG1 F:THR535 2.2 16.9 1.0
PG F:GNP678 3.2 14.9 1.0
PB F:GNP678 3.3 9.6 1.0
CB F:THR535 3.3 18.2 1.0
CB F:THR517 3.4 18.2 1.0
N3B F:GNP678 3.5 10.1 1.0
N F:THR535 3.5 12.4 1.0
O1G F:GNP678 4.0 12.9 1.0
CA F:THR535 4.0 11.1 1.0
N F:THR517 4.0 4.2 1.0
CA F:PRO534 4.1 11.5 1.0
CA F:THR517 4.2 5.3 1.0
O2A F:GNP678 4.2 11.9 1.0
C F:PRO534 4.3 13.4 1.0
CG2 F:THR535 4.3 20.1 1.0
O1B F:GNP678 4.3 10.7 1.0
O3A F:GNP678 4.3 9.4 1.0
CB F:LYS516 4.4 8.0 1.0
CG2 F:THR517 4.4 16.9 1.0
O F:THR558 4.4 3.9 1.0
O F:VAL533 4.4 15.0 1.0
OD2 F:ASP557 4.5 4.8 1.0
O3G F:GNP678 4.6 10.6 1.0
PA F:GNP678 4.7 13.6 1.0
OD1 F:ASP557 4.7 13.6 1.0
O1A F:GNP678 4.8 9.1 1.0
CG F:ASP557 4.8 7.2 1.0
C F:LYS516 4.9 5.1 1.0
CB F:PRO534 4.9 9.3 1.0
O F:HOH96 5.0 13.1 1.0

Reference:

K.Rittinger, P.A.Walker, J.F.Eccleston, K.Nurmahomed, D.Owen, E.Laue, S.J.Gamblin, S.J.Smerdon. Crystal Structure of A Small G Protein in Complex with the Gtpase-Activating Protein Rhogap. Nature V. 388 693 1997.
ISSN: ISSN 0028-0836
PubMed: 9262406
DOI: 10.1038/41805
Page generated: Mon Dec 14 03:35:08 2020

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