Magnesium in PDB 9pfy: Crystal Structure of Nucleoside-Diphosphate Kinase Cryptosporidium Parvum in Complex with Atp

All present enzymatic activity of Crystal Structure of Nucleoside-Diphosphate Kinase Cryptosporidium Parvum in Complex with Atp:
2.7.4.6;

The structure of Crystal Structure of Nucleoside-Diphosphate Kinase Cryptosporidium Parvum in Complex with Atp, PDB code: 9pfy was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.01 / 1.42
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.815, 69.815, 315.861, 90, 90, 120
R / Rfree (%)	12.7 / 15.6

The binding sites of Magnesium atom in the Crystal Structure of Nucleoside-Diphosphate Kinase Cryptosporidium Parvum in Complex with Atp (pdb code 9pfy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Nucleoside-Diphosphate Kinase Cryptosporidium Parvum in Complex with Atp, PDB code: 9pfy:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Nucleoside-Diphosphate Kinase Cryptosporidium Parvum in Complex with Atp


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 Nucleoside-Diphosphate Kinase Cryptosporidium Parvum in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:25.3 occ:0.70 O A:HOH423 2.2 25.9 1.0 O2A A:ATP201 2.3 24.5 0.7 O1B A:ATP201 2.4 23.1 0.7 O A:HOH404 2.5 32.7 1.0 O1G A:ATP201 2.5 28.4 0.7 O A:HOH398 2.5 27.4 1.0 O1P A:HIS139 2.6 17.5 0.3 PB A:ATP201 3.4 20.2 0.7 O3B A:ATP201 3.5 24.7 0.7 PG A:ATP201 3.5 28.1 0.7 PA A:ATP201 3.6 22.4 0.7 O3A A:ATP201 3.8 21.2 0.7 P A:HIS139 3.9 13.8 0.3 CE1 A:HIS139 4.1 15.6 0.3 O3G A:ATP201 4.2 30.8 0.7 NH1 A:ARG109 4.3 42.5 1.0 O A:HOH328 4.3 18.2 1.0 ND1 A:HIS139 4.4 13.6 0.3 O3P A:HIS139 4.4 8.9 0.3 O A:HOH304 4.4 7.1 0.3 CE1 A:HIS139 4.4 14.8 0.7 ND1 A:HIS139 4.5 13.3 0.7 C5' A:ATP201 4.5 31.0 0.7 OE2 A:GLU76 4.5 53.6 1.0 O1A A:ATP201 4.6 22.7 0.7 O5' A:ATP201 4.6 26.2 0.7 NH2 A:ARG109 4.6 50.5 1.0 OD2 A:ASP142 4.7 33.0 1.0 O2G A:ATP201 4.8 26.0 0.7 O A:HOH320 4.8 21.6 1.0 O2B A:ATP201 4.8 19.2 0.7 NE2 A:HIS77 4.9 39.1 1.0 O A:HOH303 4.9 29.2 1.0 CZ A:ARG109 4.9 45.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Nucleoside-Diphosphate Kinase Cryptosporidium Parvum in Complex with Atp


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 Nucleoside-Diphosphate Kinase Cryptosporidium Parvum in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg202 b:26.4 occ:0.61 O C:HOH394 2.3 24.2 1.0 O2A C:ATP201 2.3 26.8 0.6 O1G C:ATP201 2.4 30.8 0.6 O1B C:ATP201 2.4 22.1 0.6 O C:HOH398 2.5 39.3 1.0 O C:HOH303 2.5 34.1 1.0 O1P C:HIS139 2.7 19.1 0.4 PB C:ATP201 3.3 22.4 0.6 O3B C:ATP201 3.4 24.7 0.6 PG C:ATP201 3.4 26.4 0.6 PA C:ATP201 3.6 25.2 0.6 O3A C:ATP201 3.7 23.1 0.6 P C:HIS139 4.0 13.8 0.4 NH1 C:ARG109 4.1 44.5 1.0 O3G C:ATP201 4.2 24.0 0.6 CE1 C:HIS139 4.2 11.2 0.4 OD2 C:ASP142 4.3 32.0 1.0 O C:HOH304 4.4 10.3 0.4 O C:HOH337 4.4 17.6 1.0 O3P C:HIS139 4.5 11.1 0.4 O1A C:ATP201 4.5 26.8 0.6 ND1 C:HIS139 4.5 11.5 0.4 ND1 C:HIS139 4.6 20.4 0.6 NH2 C:ARG109 4.6 50.0 1.0 OE2 C:GLU76 4.6 57.9 1.0 CE1 C:HIS139 4.6 21.8 0.6 O2G C:ATP201 4.7 29.4 0.6 O5' C:ATP201 4.7 26.1 0.6 O2B C:ATP201 4.7 22.3 0.6 OE1 C:GLU76 4.7 58.4 1.0 C5' C:ATP201 4.8 32.3 0.6 O C:HOH370 4.8 26.3 1.0 CZ C:ARG109 4.8 46.1 1.0 CD C:GLU76 4.9 56.1 1.0

L.Liu, S.Lovell, K.P.Battaile. Crystal Structure of Nucleoside-Diphosphate Kinase Cryptosporidium Parvum in Complex with Atp To Be Published.