Calcium in PDB 2i3p: K28R Mutant of Homing Endonuclease I-Crei

The structure of K28R Mutant of Homing Endonuclease I-Crei, PDB code: 2i3p was solved by D.Sussman, L.Rosen, 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 (°)	43.076, 68.211, 87.409, 90.00, 91.42, 90.00
R / Rfree (%)	23.4 / 29.2

The binding sites of Calcium atom in the K28R Mutant of Homing Endonuclease I-Crei (pdb code 2i3p). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the K28R Mutant of Homing Endonuclease I-Crei, PDB code: 2i3p:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the K28R 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 K28R Mutant of Homing Endonuclease I-Crei within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca154 b:21.5 occ:1.00 O B:GLY319 2.2 14.8 1.0 OP1 C:DA514 2.2 16.3 1.0 OP2 D:DG565 2.3 16.7 1.0 O B:HOH145 2.4 16.2 1.0 OD1 A:ASP20 2.7 18.7 1.0 OD2 A:ASP20 2.7 14.4 1.0 CG A:ASP20 3.0 18.1 1.0 C B:GLY319 3.2 16.7 1.0 P C:DA514 3.6 16.3 1.0 P D:DG565 3.6 13.0 1.0 O B:HOH5 3.6 4.2 1.0 CA B:GLY319 3.8 17.4 1.0 O3' C:DG513 3.9 17.2 1.0 O B:ASP318 4.1 18.2 1.0 O5' D:DG565 4.2 14.7 1.0 C5' D:DG565 4.2 14.1 1.0 NE2 A:GLN47 4.2 12.2 1.0 OP1 D:DG565 4.3 14.8 1.0 O B:HOH123 4.3 22.4 1.0 N B:ASP320 4.3 16.2 1.0 OE1 A:GLN47 4.4 14.2 1.0 OP2 C:DA514 4.5 16.7 1.0 CB A:ASP20 4.5 15.9 1.0 C5' C:DA514 4.6 18.0 1.0 C4' C:DA514 4.6 18.5 1.0 O5' C:DA514 4.6 17.6 1.0 CA B:ASP320 4.7 16.3 1.0 CD A:GLN47 4.7 13.9 1.0 O3' D:DC564 4.8 14.6 1.0 N B:GLY319 4.8 18.2 1.0 C B:ASP318 4.9 16.7 1.0 OD1 B:ASP320 4.9 12.3 1.0 C4' D:DG565 5.0 14.6 1.0

Calcium binding site 2 out of 2 in the K28R 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 K28R Mutant of Homing Endonuclease I-Crei within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1 b:17.9 occ:1.00 OP2 C:DG515 2.1 14.6 1.0 O A:GLY19 2.3 10.6 1.0 OP1 D:DC564 2.3 17.3 1.0 OD1 B:ASP320 2.6 12.3 1.0 OD2 B:ASP320 2.6 10.4 1.0 CG B:ASP320 2.9 13.0 1.0 C A:GLY19 3.2 13.3 1.0 O B:HOH5 3.3 4.2 1.0 P C:DG515 3.5 14.8 1.0 P D:DC564 3.6 18.6 1.0 CA A:GLY19 3.7 12.3 1.0 O3' D:DA563 3.9 17.8 1.0 O5' C:DG515 4.2 13.2 1.0 OE1 B:GLN347 4.2 13.8 1.0 OP1 C:DG515 4.2 12.0 1.0 O A:ASP18 4.3 14.1 1.0 C5' C:DG515 4.3 12.2 1.0 N A:ASP20 4.4 16.0 1.0 NE2 B:GLN347 4.4 12.7 1.0 CB B:ASP320 4.4 14.0 1.0 OP2 D:DC564 4.5 15.1 1.0 O3' C:DA514 4.6 15.4 1.0 C5' D:DC564 4.7 15.7 1.0 O5' D:DC564 4.7 16.3 1.0 C4' D:DC564 4.7 15.1 1.0 CD B:GLN347 4.7 13.1 1.0 OD2 A:ASP20 4.8 14.4 1.0 CA A:ASP20 4.8 16.4 1.0 N A:GLY19 4.9 11.8 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