Magnesium in PDB 2rhd: Crystal Structure of Cryptosporidium Parvum Small Gtpase RAB1A

The structure of Crystal Structure of Cryptosporidium Parvum Small Gtpase RAB1A, PDB code: 2rhd was solved by A.Dong, X.Xu, J.Lew, Y.H.Lin, C.Khuu, X.Sun, W.Qiu, I.Kozieradzki, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, M.Sundstrom, A.Bochkarev, R.Hui, D.Sukumar, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.06
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	107.385, 107.385, 45.226, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 20.9

The binding sites of Magnesium atom in the Crystal Structure of Cryptosporidium Parvum Small Gtpase RAB1A (pdb code 2rhd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Cryptosporidium Parvum Small Gtpase RAB1A, PDB code: 2rhd:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Cryptosporidium Parvum Small Gtpase RAB1A


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 Cryptosporidium Parvum Small Gtpase RAB1A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:6.0 occ:1.00 O3B A:GDP3800 2.2 15.3 1.0 O A:HOH3834 2.3 32.8 1.0 O A:HOH3809 2.3 21.3 1.0 O A:HOH3861 2.3 35.1 1.0 O A:HOH3808 2.4 18.4 1.0 OG A:SER23 2.4 18.0 1.0 CB A:SER23 3.5 17.4 1.0 PB A:GDP3800 3.5 16.2 1.0 O1B A:GDP3800 3.6 12.9 1.0 O A:HOH3974 4.1 60.0 1.0 N A:SER23 4.2 17.1 1.0 O2A A:GDP3800 4.2 16.2 1.0 OD2 A:ASP64 4.3 26.6 1.0 CA A:SER23 4.4 17.6 1.0 O2B A:GDP3800 4.5 14.6 1.0 O3A A:GDP3800 4.5 15.8 1.0 O A:ILE39 4.6 35.2 1.0 PA A:GDP3800 4.7 17.1 1.0 O A:HOH3824 4.7 27.7 1.0 O1A A:GDP3800 4.9 16.5 1.0 O A:SER40 4.9 36.0 1.0 O A:ASP64 4.9 27.1 1.0 CG A:ASP64 5.0 26.9 1.0 O A:HOH3819 5.0 25.1 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Cryptosporidium Parvum Small Gtpase RAB1A


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 Cryptosporidium Parvum Small Gtpase RAB1A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:5.5 occ:0.33 O A:HOH3806 2.4 15.6 1.0 O A:HOH3831 2.4 18.6 0.3 OD2 A:ASP95 2.4 17.5 1.0 CG A:ASP95 3.4 17.0 1.0 OD1 A:ASP95 3.7 16.2 1.0 ND2 A:ASN99 4.2 14.9 1.0 O A:HOH3801 4.3 9.9 0.3 O A:HOH3865 4.4 34.2 1.0 O A:HOH3814 4.4 14.9 1.0 CB A:ASP95 4.7 16.3 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Cryptosporidium Parvum Small Gtpase RAB1A


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 Cryptosporidium Parvum Small Gtpase RAB1A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1003 b:5.3 occ:1.00 O A:HOH3816 2.3 13.1 1.0 OD1 A:ASP95 2.4 16.2 1.0 CG A:ASP95 3.5 17.0 1.0 CB A:ASP95 4.1 16.3 1.0 CA A:ASP95 4.2 15.9 1.0 O A:HOH3848 4.2 35.1 1.0 O A:HOH3806 4.2 15.6 1.0 OD2 A:ASP95 4.5 17.5 1.0 OD2 A:ASP98 4.5 19.7 1.0 CB A:ASP98 4.9 16.2 1.0 OD1 A:ASN99 4.9 16.1 1.0

A.Dong, X.Xu, J.Lew, Y.H.Lin, C.Khuu, X.Sun, W.Qiu, I.Kozieradzki, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, M.Sundstrom, A.Bochkarev, R.Hui, D.Sukumar. Crystal Structure of Cryptosporidium Parvum Small Gtpase RAB1A. To Be Published.