Magnesium in PDB 3l6q: Crystal Structure of the N-Terminal Domain of HSP70 From Cryptosporidium Parvum (CGD2_20)

The structure of Crystal Structure of the N-Terminal Domain of HSP70 From Cryptosporidium Parvum (CGD2_20), PDB code: 3l6q was solved by J.C.Pizarro, A.K.Wernimont, A.Hutchinson, H.Sullivan, J.Lew, A.Bochkarev, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.M.Edwards, R.Hui, T.Hills, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.79 / 2.29
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.089, 83.078, 131.248, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 24.1

The binding sites of Magnesium atom in the Crystal Structure of the N-Terminal Domain of HSP70 From Cryptosporidium Parvum (CGD2_20) (pdb code 3l6q). 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 the N-Terminal Domain of HSP70 From Cryptosporidium Parvum (CGD2_20), PDB code: 3l6q:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the N-Terminal Domain of HSP70 From Cryptosporidium Parvum (CGD2_20)


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 the N-Terminal Domain of HSP70 From Cryptosporidium Parvum (CGD2_20) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg405 b:35.9 occ:1.00 O A:HOH529 2.5 35.0 1.0 OG1 A:THR29 2.6 43.0 1.0 N A:THR29 3.0 28.5 1.0 O A:HOH426 3.0 37.3 1.0 N A:TYR30 3.5 29.4 1.0 O2 A:SO4402 3.6 95.0 1.0 CB A:THR29 3.6 37.1 1.0 N A:THR28 3.7 29.4 1.0 CA A:THR29 3.7 28.9 1.0 O3 A:SO4401 4.0 41.3 1.0 N A:GLY218 4.0 32.3 1.0 C A:THR28 4.0 31.3 1.0 C A:THR29 4.1 32.6 1.0 CG2 A:THR29 4.1 29.9 1.0 CB A:THR28 4.1 33.1 1.0 CA A:THR28 4.1 28.8 1.0 O A:TYR30 4.2 33.0 1.0 C A:GLY27 4.3 32.9 1.0 O4 A:SO4401 4.3 39.8 1.0 O2 A:SO4401 4.4 39.4 1.0 O A:HOH432 4.4 30.1 1.0 CA A:GLY27 4.5 30.0 1.0 S A:SO4401 4.5 37.0 1.0 CA A:GLY218 4.5 32.4 1.0 CA A:TYR30 4.5 29.8 1.0 N A:GLY219 4.5 35.2 1.0 CB A:TYR30 4.6 31.9 1.0 C A:TYR30 4.9 34.1 1.0 OG1 A:THR28 4.9 32.9 1.0 O A:HOH540 4.9 43.2 1.0 S A:SO4402 5.0 90.8 1.0 C A:GLY217 5.0 35.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the N-Terminal Domain of HSP70 From Cryptosporidium Parvum (CGD2_20)


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 the N-Terminal Domain of HSP70 From Cryptosporidium Parvum (CGD2_20) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg404 b:27.4 occ:1.00 OG1 B:THR29 2.7 39.2 1.0 O B:HOH496 2.9 46.8 1.0 N B:THR29 3.1 23.8 1.0 N B:TYR30 3.4 29.4 1.0 O3 B:SO4402 3.6 74.1 1.0 CB B:THR29 3.6 33.5 1.0 CE2 B:TYR30 3.6 39.1 0.5 N B:GLY218 3.7 32.5 1.0 CA B:THR29 3.7 24.8 1.0 CD2 B:TYR30 3.7 37.5 0.5 N B:THR28 3.8 21.2 1.0 C B:THR29 4.0 29.1 1.0 CG2 B:THR29 4.1 30.3 1.0 CZ B:TYR30 4.1 47.2 0.5 CA B:GLY218 4.1 32.1 1.0 O B:TYR30 4.1 31.7 1.0 CG B:TYR30 4.2 36.1 0.5 C B:THR28 4.2 26.8 1.0 O3 B:SO4401 4.3 39.9 1.0 N B:GLY219 4.3 28.9 1.0 CB B:THR28 4.3 31.1 1.0 CA B:THR28 4.3 21.4 1.0 C B:GLY27 4.3 26.7 1.0 CA B:TYR30 4.4 30.1 0.5 O2 B:SO4401 4.5 41.5 1.0 CA B:TYR30 4.5 30.4 0.5 CA B:GLY27 4.5 21.0 1.0 CB B:TYR30 4.5 31.9 0.5 CE1 B:TYR30 4.6 39.7 0.5 O B:HOH415 4.6 27.8 1.0 O4 B:SO4401 4.6 41.3 1.0 CD1 B:TYR30 4.6 38.5 0.5 C B:GLY217 4.7 32.9 1.0 S B:SO4401 4.7 38.0 1.0 C B:GLY218 4.7 34.3 1.0 OH B:TYR30 4.7 50.6 0.5 CA B:GLY217 4.8 28.7 1.0 C B:TYR30 4.8 33.7 1.0 OG1 B:THR28 4.9 24.6 1.0 CB B:TYR30 4.9 32.8 0.5 S B:SO4402 5.0 69.4 1.0

J.C.Pizarro, A.K.Wernimont, A.Hutchinson, H.Sullivan, J.Lew, A.Bochkarev, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.M.Edwards, R.Hui, T.Hills, Structural Genomics Consortium (Sgc). Crystal Structure of the N-Terminal Domain of HSP70 From Cryptosporidium Parvum (CGD2_20) To Be Published.