Calcium in PDB 5thg: Engineered Variant of I-Onui Meganuclease Targeting the Hiv CCR5 Gene; Harbors 43 Point Mutations Relative to Wild-Type I-Onui

The structure of Engineered Variant of I-Onui Meganuclease Targeting the Hiv CCR5 Gene; Harbors 43 Point Mutations Relative to Wild-Type I-Onui, PDB code: 5thg was solved by J.P.Hallinan, B.L.Stoddard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.77 / 3.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.959, 112.351, 122.879, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 27.9

The binding sites of Calcium atom in the Engineered Variant of I-Onui Meganuclease Targeting the Hiv CCR5 Gene; Harbors 43 Point Mutations Relative to Wild-Type I-Onui (pdb code 5thg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Engineered Variant of I-Onui Meganuclease Targeting the Hiv CCR5 Gene; Harbors 43 Point Mutations Relative to Wild-Type I-Onui, PDB code: 5thg:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Engineered Variant of I-Onui Meganuclease Targeting the Hiv CCR5 Gene; Harbors 43 Point Mutations Relative to Wild-Type I-Onui


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Engineered Variant of I-Onui Meganuclease Targeting the Hiv CCR5 Gene; Harbors 43 Point Mutations Relative to Wild-Type I-Onui within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:50.5 occ:1.00 O A:GLY177 2.4 39.3 1.0 OP2 B:DT18 2.5 44.4 1.0 O C:HOH101 2.7 30.2 1.0 OE2 A:GLU22 2.8 39.4 1.0 OP1 C:DT17 3.0 47.5 1.0 C A:GLY177 3.5 37.3 1.0 P B:DT18 3.5 39.5 1.0 OP1 B:DT18 3.7 47.2 1.0 CD A:GLU22 4.0 41.1 1.0 CA A:GLY177 4.2 37.4 1.0 P C:DT17 4.3 46.5 1.0 C5' C:DT17 4.3 48.1 1.0 O5' B:DT18 4.3 43.6 1.0 O3' C:DA16 4.5 43.8 1.0 N A:GLU178 4.6 37.8 1.0 O A:SER176 4.7 41.4 1.0 CA A:GLU178 4.8 34.3 1.0 O5' C:DT17 4.8 45.2 1.0 O3' B:DC17 4.8 37.4 1.0 OE1 A:GLU22 4.9 42.9 1.0 CG A:GLU22 4.9 31.1 1.0 CE A:LYS262 4.9 33.4 1.0

Calcium binding site 2 out of 4 in the Engineered Variant of I-Onui Meganuclease Targeting the Hiv CCR5 Gene; Harbors 43 Point Mutations Relative to Wild-Type I-Onui


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Engineered Variant of I-Onui Meganuclease Targeting the Hiv CCR5 Gene; Harbors 43 Point Mutations Relative to Wild-Type I-Onui within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:36.2 occ:1.00 O A:HOH501 2.1 28.9 1.0 OP1 C:DT18 2.2 32.5 1.0 OE2 A:GLU178 2.3 33.2 1.0 O A:ALA21 2.4 32.0 1.0 OP1 B:DC17 2.6 40.3 1.0 OE1 A:GLU22 2.6 42.9 1.0 O3' C:DT17 3.0 31.0 1.0 P C:DT18 3.2 37.6 1.0 CD A:GLU178 3.4 33.8 1.0 C A:ALA21 3.5 30.8 1.0 CD A:GLU22 3.8 41.1 1.0 CG A:GLU178 4.0 34.3 1.0 P B:DC17 4.0 50.9 1.0 CA A:GLU22 4.1 30.4 1.0 C3' C:DT17 4.2 35.6 1.0 O5' C:DT18 4.2 34.2 1.0 N A:GLU22 4.2 30.1 1.0 OP2 C:DT18 4.3 32.1 1.0 C4' B:DC17 4.4 41.1 1.0 OE1 A:GLU178 4.5 36.3 1.0 C5' C:DT18 4.5 33.5 1.0 OE2 A:GLU22 4.5 39.4 1.0 C4' C:DT17 4.5 40.1 1.0 CA A:ALA21 4.6 27.8 1.0 O3' B:DT16 4.6 33.0 1.0 CB A:GLU22 4.8 27.7 1.0 CG A:GLU22 4.8 31.1 1.0 OP2 B:DC17 4.9 40.4 1.0 C5' B:DC17 4.9 44.5 1.0 O3' B:DC17 4.9 37.4 1.0 O5' B:DC17 5.0 44.0 1.0

Calcium binding site 3 out of 4 in the Engineered Variant of I-Onui Meganuclease Targeting the Hiv CCR5 Gene; Harbors 43 Point Mutations Relative to Wild-Type I-Onui


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Engineered Variant of I-Onui Meganuclease Targeting the Hiv CCR5 Gene; Harbors 43 Point Mutations Relative to Wild-Type I-Onui within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca401 b:56.1 occ:1.00 O D:GLY177 2.5 45.0 1.0 OP2 E:DT18 2.5 44.6 1.0 OE2 D:GLU22 2.8 53.0 1.0 OP1 F:DT17 3.0 58.2 1.0 P E:DT18 3.5 48.6 1.0 OP1 E:DT18 3.6 58.6 1.0 C D:GLY177 3.7 40.1 1.0 CD D:GLU22 4.0 52.7 1.0 C5' F:DT17 4.2 52.9 1.0 P F:DT17 4.3 66.2 1.0 O5' E:DT18 4.3 51.0 1.0 CA D:GLY177 4.3 38.4 1.0 O3' F:DA16 4.7 49.7 1.0 N D:GLU178 4.7 41.2 1.0 O5' F:DT17 4.7 56.2 1.0 O3' E:DC17 4.8 47.2 1.0 CG D:GLU22 4.8 40.9 1.0 OE1 D:GLU22 4.8 64.0 1.0 O D:SER176 4.9 39.7 1.0 CA D:GLU178 4.9 42.5 1.0

Calcium binding site 4 out of 4 in the Engineered Variant of I-Onui Meganuclease Targeting the Hiv CCR5 Gene; Harbors 43 Point Mutations Relative to Wild-Type I-Onui


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Engineered Variant of I-Onui Meganuclease Targeting the Hiv CCR5 Gene; Harbors 43 Point Mutations Relative to Wild-Type I-Onui within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca402 b:65.3 occ:1.00 OP1 F:DT18 2.0 44.4 1.0 OE2 D:GLU178 2.1 56.3 1.0 O D:ALA21 2.1 51.8 1.0 OP1 E:DC17 2.5 53.0 1.0 OE1 D:GLU22 3.1 64.0 1.0 P F:DT18 3.3 44.3 1.0 C D:ALA21 3.3 49.1 1.0 CD D:GLU178 3.3 54.1 1.0 O3' F:DT17 3.5 31.5 1.0 P E:DC17 3.8 48.7 1.0 O5' F:DT18 4.2 47.9 1.0 CG D:GLU178 4.2 45.1 1.0 N D:GLU22 4.2 44.7 1.0 OE1 D:GLU178 4.2 53.5 1.0 CA D:GLU22 4.2 39.8 1.0 CA D:ALA21 4.3 42.4 1.0 CD D:GLU22 4.3 52.7 1.0 OP2 F:DT18 4.5 43.0 1.0 OP2 E:DC17 4.5 50.1 1.0 O3' E:DT16 4.5 43.8 1.0 C5' F:DT18 4.5 46.5 1.0 C4' E:DC17 4.7 67.5 1.0 C3' F:DT17 4.8 40.5 1.0 O D:ASP20 4.9 44.3 1.0 O5' E:DC17 5.0 71.9 1.0 C5' E:DC17 5.0 63.6 1.0

R.Werther, J.P.Hallinan, A.Lambert, K.Haven, J.Jarjor, B.L.Stoddard. The Structural Basis of Altered Gene Specificity Resulting From Meganuclease and Megatal Engineering To Be Published.