Chlorine 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
Calcium	(Ca)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine where determined in the I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui, PDB code: 7rcg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl403 b:45.1 occ:1.00 O C:HOH108 2.9 28.0 1.0 NA B:NA101 3.0 40.7 1.0 NE1 A:TRP140 3.6 26.6 1.0 NH1 A:ARG207 3.6 19.1 1.0 CD1 A:TRP140 3.8 27.0 1.0 O A:HOH517 3.9 26.3 1.0 O C:HOH110 4.3 23.7 1.0 O A:HOH513 4.4 17.9 1.0 O A:ASN139 4.5 26.5 1.0 CZ A:ARG207 4.6 23.1 1.0 O B:HOH208 4.8 35.6 1.0 OP1 B:DC13 4.8 28.8 1.0 CE2 A:TRP140 4.9 20.5 1.0 C A:ASN139 4.9 26.6 1.0

Chlorine binding site 2 out of 3 in the I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl404 b:55.1 occ:1.00 CA A:PHE150 3.7 36.4 1.0 CB A:GLU152 3.7 21.2 1.0 N A:GLU152 3.7 34.4 1.0 CD A:PRO151 3.8 41.0 1.0 C A:PHE150 3.9 40.0 1.0 N A:PRO151 3.9 42.2 1.0 CB A:PHE150 4.2 33.4 1.0 CA A:GLU152 4.3 31.0 1.0 CD1 A:PHE150 4.4 35.3 1.0 O A:PHE150 4.5 38.3 1.0 CG A:PRO151 4.6 42.0 1.0 O A:ALA149 4.6 37.6 1.0 CG A:PHE150 4.7 33.0 1.0 C A:PRO151 4.8 36.3 1.0 CA A:PRO151 4.9 38.8 1.0 N A:PHE150 4.9 37.5 1.0

Chlorine binding site 3 out of 3 in the I-ONUI_E-HPD1-F Final Stage Reengineered Variant of I-Onui


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 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:Cl405 b:51.5 occ:1.00 O6 B:DG7 2.9 23.9 1.0 NA A:NA409 3.0 41.5 1.0 NH2 A:ARG42 3.2 30.3 1.0 CG1 A:VAL80 3.5 28.5 1.0 CG2 A:VAL80 3.6 32.5 1.0 NH1 A:ARG42 3.7 26.1 1.0 CZ A:ARG42 3.8 29.7 1.0 C6 B:DG7 3.9 25.9 1.0 O C:HOH103 3.9 24.6 1.0 N7 B:DG7 4.0 32.2 1.0 CB A:VAL80 4.1 32.2 1.0 C5 B:DG7 4.3 32.8 1.0 N4 B:DC8 4.3 28.1 1.0 N4 C:DC19 4.4 22.6 1.0 O6 C:DG18 4.5 27.1 1.0 O4 B:DT6 4.8 32.0 1.0 OG1 A:THR46 4.8 21.2 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.