Calcium in PDB 7rcg: I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui

The structure of I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui, PDB code: 7rcg was solved by A.T.Smiley, R.A.Werther, B.L.Stoddard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.95 / 2.37
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.195, 64.903, 165.063, 90, 90, 90
R / Rfree (%)	20.1 / 25.1

The structure of I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui also contains other interesting chemical elements:

Sodium	(Na)	5 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Calcium atom in the I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui (pdb code 7rcg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui, PDB code: 7rcg:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:20.7 occ:1.00 OP1 B:DC14 2.3 14.7 1.0 OP2 C:DC16 2.3 20.6 1.0 O A:ALA21 2.4 17.3 1.0 O B:HOH204 2.4 19.1 1.0 OD2 A:ASP178 2.4 15.8 1.0 O A:HOH519 2.5 15.5 1.0 OD1 A:ASP178 2.8 20.5 1.0 CG A:ASP178 2.9 19.6 1.0 C A:ALA21 3.4 20.5 1.0 P C:DC16 3.6 19.6 1.0 P B:DC14 3.7 16.9 1.0 O A:HOH501 3.7 13.1 1.0 CA A:ALA21 3.7 17.7 1.0 NE2 A:GLN204 4.1 14.4 1.0 O3' B:DC13 4.1 19.9 1.0 O5' C:DC16 4.2 21.6 1.0 OE1 A:GLN204 4.2 21.1 1.0 OP1 C:DC16 4.2 19.4 1.0 C5' C:DC16 4.3 23.3 1.0 O A:HOH533 4.3 21.2 1.0 CB A:ASP178 4.4 20.0 1.0 OE2 A:GLU22 4.4 22.2 1.0 CB A:ALA21 4.4 19.8 1.0 C4' B:DC14 4.4 19.1 1.0 CD A:GLN204 4.5 21.7 1.0 O A:ASP20 4.5 22.2 1.0 N A:GLU22 4.6 19.1 1.0 OP2 B:DC14 4.6 23.1 1.0 C5' B:DC14 4.6 17.8 1.0 O5' B:DC14 4.7 19.0 1.0 O3' C:DT15 4.8 23.3 1.0 N A:ALA21 5.0 16.5 1.0 O3' B:DC14 5.0 19.4 1.0

Calcium binding site 2 out of 2 in the I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:19.4 occ:1.00 OE1 A:GLU22 2.2 26.2 1.0 OP1 C:DT15 2.3 19.0 1.0 OP2 B:DC15 2.4 21.6 1.0 O A:HOH535 2.4 19.9 1.0 O A:GLY177 2.4 18.6 1.0 O A:HOH528 2.5 21.3 1.0 CD A:GLU22 3.3 21.7 1.0 C A:GLY177 3.4 21.9 1.0 O A:HOH501 3.6 13.1 1.0 O C:HOH105 3.7 23.1 1.0 P B:DC15 3.7 23.7 1.0 P C:DT15 3.8 24.9 1.0 OE2 A:GLU22 3.8 22.2 1.0 CA A:GLY177 3.9 20.4 1.0 O5' B:DC15 4.2 19.2 1.0 C5' B:DC15 4.2 21.9 1.0 O3' C:DA14 4.3 23.2 1.0 O A:HOH536 4.3 30.3 1.0 C5' C:DT15 4.4 21.2 1.0 OP1 B:DC15 4.4 23.3 1.0 C4' C:DT15 4.5 19.4 1.0 O A:SER176 4.5 25.7 1.0 N A:ASP178 4.6 20.4 1.0 CG A:GLU22 4.6 19.1 1.0 O5' C:DT15 4.6 21.3 1.0 CE A:LYS262 4.6 26.0 1.0 OP2 C:DT15 4.7 23.3 1.0 OD1 A:ASP178 4.8 20.5 1.0 O3' B:DC14 4.9 19.4 1.0 CA A:ASP178 4.9 17.7 1.0

R.A.Werther, N.C.Ubilla-Rodriguez, A.T.Smiley, K.Havens, A.R.Lambert, B.L.Stoddard. Characterization of the Stepwise Engineering and Optimization of A Retargeted Dna Binding Protein and Gene-Editing Meganuclease To Be Published.