Magnesium in PDB 4q2d: Crystal Structure of Crispr-Associated Protein in Complex with 2'- Deoxyadenosine 5'-Triphosphate

The structure of Crystal Structure of Crispr-Associated Protein in Complex with 2'- Deoxyadenosine 5'-Triphosphate, PDB code: 4q2d was solved by B.Gong, M.Shin, J.Sun, J.Van Der Oost, J.-S.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.66 / 2.77
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	105.684, 211.630, 104.272, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24.7

The structure of Crystal Structure of Crispr-Associated Protein in Complex with 2'- Deoxyadenosine 5'-Triphosphate also contains other interesting chemical elements:

Nickel

(Ni)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Crispr-Associated Protein in Complex with 2'- Deoxyadenosine 5'-Triphosphate (pdb code 4q2d). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Crispr-Associated Protein in Complex with 2'- Deoxyadenosine 5'-Triphosphate, PDB code: 4q2d:

Magnesium binding site 1 out of 1 in the Crystal Structure of Crispr-Associated Protein in Complex with 2'- Deoxyadenosine 5'-Triphosphate


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 Crispr-Associated Protein in Complex with 2'- Deoxyadenosine 5'-Triphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1004 b:24.1 occ:1.00 O3G A:DTP1005 2.1 55.1 1.0 O1B A:DTP1005 2.3 49.2 1.0 O A:HOH1141 2.9 27.5 1.0 OD1 A:ASP477 3.1 58.9 1.0 PG A:DTP1005 3.3 50.5 1.0 PB A:DTP1005 3.5 45.1 1.0 CG2 A:THR334 3.7 34.8 1.0 OD2 A:ASP477 3.7 56.2 1.0 CG A:ASP477 3.7 54.9 1.0 O1G A:DTP1005 3.8 48.4 1.0 O3B A:DTP1005 3.8 37.5 1.0 O2B A:DTP1005 4.0 38.5 1.0 CB A:GLU478 4.3 65.9 1.0 N A:GLU478 4.3 50.8 1.0 CD1 A:LEU507 4.5 32.8 1.0 OE2 A:GLU478 4.5 73.0 1.0 O2G A:DTP1005 4.6 45.9 1.0 CA A:GLU478 4.7 55.1 1.0 CE A:LYS333 4.7 29.5 1.0 O2A A:DTP1005 4.7 40.3 1.0 O3A A:DTP1005 4.8 42.2 1.0 CB A:LEU507 4.9 27.1 1.0 CB A:ASP477 5.0 48.4 1.0 NZ A:LYS333 5.0 30.9 1.0

B.Gong, M.Shin, J.Sun, C.H.Jung, E.L.Bolt, J.Van Der Oost, J.-S.Kim. Molecular Insights Into Dna Interference By Crispr-Associated Nuclease-Helicase CAS3 Proc.Natl.Acad.Sci.Usa 2014.
ISSN: ESSN 1091-6490
PubMed: 25368186
DOI: 10.1073/PNAS.1410806111