Calcium in PDB 2i3q: Q44V Mutant of Homing Endonuclease I-Crei

The structure of Q44V Mutant of Homing Endonuclease I-Crei, PDB code: 2i3q was solved by L.Rosen, D.Sussman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.69 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.060, 67.978, 87.497, 90.00, 91.53, 90.00
R / Rfree (%)	21.7 / 26.4

The binding sites of Calcium atom in the Q44V Mutant of Homing Endonuclease I-Crei (pdb code 2i3q). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Q44V Mutant of Homing Endonuclease I-Crei, PDB code: 2i3q:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Q44V Mutant of Homing Endonuclease I-Crei


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Q44V Mutant of Homing Endonuclease I-Crei within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca154 b:17.8 occ:1.00 OP2 D:DG565 2.2 21.9 1.0 OP1 C:DA514 2.3 14.9 1.0 O B:GLY319 2.3 15.0 1.0 OD1 A:ASP20 2.3 12.1 1.0 O A:HOH155 2.5 6.1 1.0 O D:HOH31 2.7 14.8 1.0 OD2 A:ASP20 2.8 15.0 1.0 CG A:ASP20 2.9 13.7 1.0 C B:GLY319 3.5 16.5 1.0 P D:DG565 3.5 16.7 1.0 P C:DA514 3.6 15.0 1.0 O3' C:DG513 3.9 16.4 1.0 OP1 D:DG565 4.1 16.9 1.0 CA B:GLY319 4.1 16.1 1.0 O5' D:DG565 4.2 18.5 1.0 O B:ASP318 4.2 15.8 1.0 C5' D:DG565 4.2 17.3 1.0 OE1 A:GLN47 4.3 10.8 1.0 NE2 A:GLN47 4.3 11.8 1.0 CB A:ASP20 4.3 12.1 1.0 C4' C:DA514 4.5 13.1 1.0 OP2 C:DA514 4.5 15.6 1.0 C5' C:DA514 4.6 14.8 1.0 N B:ASP320 4.6 15.5 1.0 O5' C:DA514 4.6 14.7 1.0 CD A:GLN47 4.7 13.1 1.0 O3' D:DC564 4.7 16.9 1.0 OD1 B:ASP320 4.7 15.4 1.0 CA B:ASP320 4.8 15.1 1.0

Calcium binding site 2 out of 2 in the Q44V Mutant of Homing Endonuclease I-Crei


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Q44V Mutant of Homing Endonuclease I-Crei within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca81 b:16.9 occ:1.00 OP1 D:DC564 2.1 12.1 1.0 O A:GLY19 2.2 10.3 1.0 OP2 C:DG515 2.2 20.4 1.0 OD2 B:ASP320 2.5 14.4 1.0 OD1 B:ASP320 2.7 15.4 1.0 O B:HOH116 2.7 12.2 1.0 CG B:ASP320 2.9 12.5 1.0 C A:GLY19 3.2 13.7 1.0 P D:DC564 3.5 14.0 1.0 P C:DG515 3.6 15.6 1.0 CA A:GLY19 3.8 12.8 1.0 O3' D:DA563 3.9 12.3 1.0 O A:HOH165 4.0 30.9 1.0 O5' C:DG515 4.3 17.1 1.0 O A:ASP18 4.3 11.7 1.0 N A:ASP20 4.3 12.7 1.0 OP1 C:DG515 4.4 15.5 1.0 CB B:ASP320 4.4 15.5 1.0 C5' C:DG515 4.4 13.8 1.0 OP2 D:DC564 4.4 12.8 1.0 OD2 A:ASP20 4.5 15.0 1.0 OE1 B:GLN347 4.5 19.4 1.0 C5' D:DC564 4.5 13.8 1.0 O5' D:DC564 4.5 13.1 1.0 C4' D:DC564 4.6 14.8 1.0 CA A:ASP20 4.7 13.5 1.0 O3' C:DA514 4.7 14.5 1.0 N A:GLY19 4.9 11.5 1.0

L.E.Rosen, H.A.Morrison, S.Masri, M.J.Brown, B.Springstubb, D.Sussman, B.L.Stoddard, L.M.Seligman. Homing Endonuclease I-Crei Derivatives with Novel Dna Target Specificities. Nucleic Acids Res. V. 34 4791 2006.
ISSN: ISSN 0305-1048
PubMed: 16971456
DOI: 10.1093/NAR/GKL645