Calcium in PDB 4aag: Crystal Structure of the Mutant D75N I-Crei in Complex with Its Wild-Type Target in Presence of Ca at the Active Site (the Four Central Bases, 2NN Region, Are Composed By Gtac From 5' to 3')

The structure of Crystal Structure of the Mutant D75N I-Crei in Complex with Its Wild-Type Target in Presence of Ca at the Active Site (the Four Central Bases, 2NN Region, Are Composed By Gtac From 5' to 3'), PDB code: 4aag was solved by R.Molina, P.Redondo, S.Stella, M.Marenchino, M.D'abramo, F.Gervasio, J.C.Epinat, J.Valton, S.Grizot, P.Duchateau, J.Prieto, G.Montoya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.743 / 2.80
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.469, 71.413, 171.214, 90.00, 90.00, 90.00
R / Rfree (%)	17.35 / 24.97

The binding sites of Calcium atom in the Crystal Structure of the Mutant D75N I-Crei in Complex with Its Wild-Type Target in Presence of Ca at the Active Site (the Four Central Bases, 2NN Region, Are Composed By Gtac From 5' to 3') (pdb code 4aag). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Mutant D75N I-Crei in Complex with Its Wild-Type Target in Presence of Ca at the Active Site (the Four Central Bases, 2NN Region, Are Composed By Gtac From 5' to 3'), PDB code: 4aag:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Mutant D75N I-Crei in Complex with Its Wild-Type Target in Presence of Ca at the Active Site (the Four Central Bases, 2NN Region, Are Composed By Gtac From 5' to 3')


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Mutant D75N I-Crei in Complex with Its Wild-Type Target in Presence of Ca at the Active Site (the Four Central Bases, 2NN Region, Are Composed By Gtac From 5' to 3') within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1154 b:46.5 occ:1.00 OP1 E:DC514 2.4 50.7 1.0 O B:GLY19 2.5 43.3 1.0 OP1 G:DG615 2.6 38.9 1.0 O A:HOH2018 2.6 47.3 1.0 OD2 A:ASP20 2.7 67.4 1.0 O A:HOH2007 2.9 61.6 1.0 OD1 A:ASP20 3.0 69.1 1.0 CG A:ASP20 3.2 68.1 1.0 C B:GLY19 3.5 38.0 1.0 P E:DC514 3.8 55.9 1.0 O A:HOH2001 3.8 42.4 1.0 P G:DG615 3.9 50.1 1.0 CA B:GLY19 3.9 35.8 1.0 O B:ASP18 4.0 52.1 1.0 O3' E:DA513 4.1 49.0 1.0 OE1 A:GLN47 4.2 51.8 1.0 NE2 A:GLN47 4.3 31.5 1.0 O5' G:DG615 4.4 59.5 1.0 C5' G:DG615 4.5 57.9 1.0 C5' E:DC514 4.6 53.0 1.0 OP2 G:DG615 4.6 54.7 1.0 CD A:GLN47 4.6 42.2 1.0 CB A:ASP20 4.7 64.3 1.0 N B:ASP20 4.7 22.7 1.0 C4' E:DC514 4.7 51.0 1.0 O5' E:DC514 4.7 57.2 1.0 OP2 E:DC514 4.8 52.3 1.0 C B:ASP18 4.9 43.4 1.0 N B:GLY19 4.9 34.5 1.0 OD1 B:ASP20 5.0 33.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Mutant D75N I-Crei in Complex with Its Wild-Type Target in Presence of Ca at the Active Site (the Four Central Bases, 2NN Region, Are Composed By Gtac From 5' to 3')


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Mutant D75N I-Crei in Complex with Its Wild-Type Target in Presence of Ca at the Active Site (the Four Central Bases, 2NN Region, Are Composed By Gtac From 5' to 3') within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1154 b:32.7 occ:1.00 O A:GLY19 2.4 32.8 1.0 OP2 E:DG515 2.5 28.2 1.0 OP1 G:DC614 2.6 44.3 1.0 OD2 B:ASP20 2.7 32.8 1.0 O B:HOH2015 2.7 30.7 1.0 OD1 B:ASP20 2.9 33.5 1.0 O B:HOH2001 3.0 68.3 1.0 CG B:ASP20 3.2 37.7 1.0 O A:HOH2001 3.5 42.4 1.0 C A:GLY19 3.5 37.7 1.0 P E:DG515 3.5 44.6 1.0 O5' E:DG515 3.8 50.4 1.0 P G:DC614 3.9 51.4 1.0 OP1 E:DG515 4.1 42.6 1.0 CA A:GLY19 4.1 37.9 1.0 O3' G:DA613 4.2 45.6 1.0 O A:ASP18 4.3 48.7 1.0 OE1 B:GLN47 4.5 55.9 1.0 C4' G:DC614 4.5 52.2 1.0 N A:ASP20 4.6 47.5 1.0 CB B:ASP20 4.7 43.6 1.0 NE2 B:GLN47 4.7 32.1 1.0 C5' G:DC614 4.7 52.8 1.0 O5' G:DC614 4.8 62.0 1.0 OD1 A:ASP20 4.9 69.1 1.0 C5' E:DG515 4.9 35.3 1.0 O3' E:DC514 4.9 51.0 1.0 CA A:ASP20 4.9 55.9 1.0 OP2 G:DC614 5.0 54.6 1.0

R.Molina, P.Redondo, S.Stella, M.Marenchino, M.D'abramo, F.L.Gervasio, J.Charles Epinat, J.Valton, S.Grizot, P.Duchateau, J.Prieto, G.Montoya. Non-Specific Protein-Dna Interactions Control I-Crei Target Binding and Cleavage. Nucleic Acids Res. V. 40 6936 2012.
ISSN: ISSN 0305-1048
PubMed: 22495931
DOI: 10.1093/NAR/GKS320