Magnesium in PDB 9obc: Crystal Structure of Nucleoside-Diphosphate Kinase From Cryptosporidium Parvum in Complex with with Adp

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

The structure of Crystal Structure of Nucleoside-Diphosphate Kinase From Cryptosporidium Parvum in Complex with with Adp, PDB code: 9obc 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)	47.99 / 1.62
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.781, 69.781, 315.843, 90, 90, 120
R / Rfree (%)	15.4 / 18

The binding sites of Magnesium atom in the Crystal Structure of Nucleoside-Diphosphate Kinase From Cryptosporidium Parvum in Complex with with Adp (pdb code 9obc). 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 Nucleoside-Diphosphate Kinase From Cryptosporidium Parvum in Complex with with Adp, PDB code: 9obc:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Nucleoside-Diphosphate Kinase From Cryptosporidium Parvum in Complex with with Adp


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 From Cryptosporidium Parvum in Complex with with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:26.0 occ:1.00 O2A A:ADP201 2.1 22.0 1.0 O A:HOH385 2.3 21.5 1.0 O2B A:ADP201 2.4 20.6 1.0 O A:HOH372 2.4 24.8 1.0 O A:HOH341 2.5 25.7 1.0 PA A:ADP201 3.4 21.2 1.0 PB A:ADP201 3.5 21.4 1.0 O A:HOH338 3.8 32.0 1.0 O3A A:ADP201 3.8 22.4 1.0 O1B A:ADP201 3.9 23.7 1.0 OE2 A:GLU76 3.9 45.9 1.0 O A:HOH350 4.0 21.4 1.0 NH1 A:ARG109 4.0 23.8 1.0 NE2 A:HIS77 4.3 26.9 1.0 O A:HOH336 4.4 35.5 1.0 O1A A:ADP201 4.4 20.7 1.0 O A:HOH330 4.4 19.6 1.0 O5' A:ADP201 4.5 20.0 1.0 C5' A:ADP201 4.5 18.3 1.0 CE1 A:HIS139 4.5 17.6 1.0 O A:HOH337 4.7 23.4 1.0 OD2 A:ASP142 4.7 28.8 1.0 ND1 A:HIS139 4.7 19.0 1.0 NH2 A:ARG109 4.7 28.4 1.0 CD A:GLU76 4.7 34.5 1.0 O A:HOH308 4.8 26.5 1.0 CZ A:ARG109 4.8 26.5 1.0 O3B A:ADP201 4.8 21.3 1.0 O A:HOH363 4.9 23.4 1.0 CE1 A:HIS77 5.0 28.1 1.0 O A:GLY140 5.0 15.9 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Nucleoside-Diphosphate Kinase From Cryptosporidium Parvum in Complex with with Adp


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 From Cryptosporidium Parvum in Complex with with Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:46.2 occ:1.00 O2A B:ADP201 2.2 46.7 1.0 O2B B:ADP201 2.6 43.8 1.0 PB B:ADP201 3.6 45.4 1.0 PA B:ADP201 3.6 50.5 1.0 O1B B:ADP201 3.8 47.6 1.0 O B:HOH321 4.0 22.6 1.0 NH1 B:ARG109 4.0 34.1 1.0 O3A B:ADP201 4.0 54.5 1.0 O B:HOH339 4.2 31.7 1.0 CE1 B:HIS139 4.2 27.6 1.0 OE2 B:GLU76 4.3 56.4 1.0 C5' B:ADP201 4.4 58.7 1.0 ND1 B:HIS139 4.4 30.7 1.0 O5' B:ADP201 4.5 65.1 1.0 O B:HOH303 4.5 39.0 1.0 OD2 B:ASP142 4.7 36.9 1.0 O1A B:ADP201 4.8 52.1 1.0 NH2 B:ARG109 4.8 35.3 1.0 CZ B:ARG109 4.8 34.6 1.0 O B:GLY140 4.9 21.1 1.0 CB B:ASP142 4.9 26.6 1.0 CE1 B:HIS77 5.0 63.6 1.0 O3B B:ADP201 5.0 42.9 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Nucleoside-Diphosphate Kinase From Cryptosporidium Parvum in Complex with with Adp


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 Nucleoside-Diphosphate Kinase From Cryptosporidium Parvum in Complex with with Adp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg202 b:28.6 occ:1.00 O2A C:ADP201 2.1 30.1 1.0 O C:HOH392 2.3 23.6 1.0 O C:HOH323 2.3 29.6 1.0 O2B C:ADP201 2.4 25.0 1.0 O C:HOH341 2.5 31.4 1.0 PA C:ADP201 3.4 27.6 1.0 PB C:ADP201 3.5 26.6 1.0 O C:HOH306 3.5 38.5 1.0 O3A C:ADP201 3.8 27.9 1.0 O1B C:ADP201 3.8 27.1 1.0 O C:HOH359 4.0 25.6 1.0 NH1 C:ARG109 4.1 27.6 1.0 OD2 C:ASP142 4.3 32.6 1.0 OE1 C:GLU76 4.4 43.7 1.0 O C:HOH344 4.4 20.2 1.0 OE2 C:GLU76 4.4 42.8 1.0 C5' C:ADP201 4.4 27.1 1.0 O5' C:ADP201 4.5 29.2 1.0 CE1 C:HIS139 4.5 26.0 1.0 NE2 C:HIS77 4.5 38.1 1.0 O1A C:ADP201 4.5 26.3 1.0 ND1 C:HIS139 4.7 20.8 1.0 CD C:GLU76 4.7 47.5 1.0 O C:HOH335 4.7 25.5 1.0 NH2 C:ARG109 4.7 35.8 1.0 O3B C:ADP201 4.8 25.6 1.0 CZ C:ARG109 4.8 28.4 1.0 O C:HOH311 4.9 27.4 1.0 O C:HOH370 4.9 26.5 1.0

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