Chlorine in PDB 6wzc: Ni-Bound Structure of An Engineered Protein Trimer, TRICYT3

The structure of Ni-Bound Structure of An Engineered Protein Trimer, TRICYT3, PDB code: 6wzc was solved by F.A.Tezcan, A.Kakkis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.71 / 2.20
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	82.460, 82.460, 53.118, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 21.9

The structure of Ni-Bound Structure of An Engineered Protein Trimer, TRICYT3 also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Iron	(Fe)	1 atom
Calcium	(Ca)	4 atoms

The binding sites of Chlorine atom in the Ni-Bound Structure of An Engineered Protein Trimer, TRICYT3 (pdb code 6wzc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Ni-Bound Structure of An Engineered Protein Trimer, TRICYT3, PDB code: 6wzc:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Ni-Bound Structure of An Engineered Protein Trimer, TRICYT3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ni-Bound Structure of An Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:33.3 occ:0.33 O A:HOH359 3.1 32.0 1.0 NH2 A:ARG62 3.3 18.6 1.0 CD1 A:ILE59 3.8 27.4 1.0 NE A:ARG62 4.1 21.2 1.0 CZ A:ARG62 4.1 25.4 1.0 CB A:ALA54 4.7 32.5 1.0

Chlorine binding site 2 out of 3 in the Ni-Bound Structure of An Engineered Protein Trimer, TRICYT3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ni-Bound Structure of An Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:36.8 occ:0.33 O A:HOH339 2.9 41.5 1.0 NZ A:LYS41 3.1 28.5 1.0 CE A:LYS41 3.7 27.9 1.0 O A:HOH359 4.0 32.0 1.0 OD2 A:ASP66 4.2 26.0 1.0

Chlorine binding site 3 out of 3 in the Ni-Bound Structure of An Engineered Protein Trimer, TRICYT3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ni-Bound Structure of An Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:39.7 occ:1.00 O A:HOH388 2.4 34.5 1.0 NH2 A:ARG34 3.2 29.6 1.0 O A:HOH312 3.2 34.1 1.0 ND1 A:HIS73 3.3 34.8 1.0 O A:HOH301 3.5 52.3 1.0 CA A:HIS73 3.7 26.2 1.0 CD A:ARG34 3.7 27.5 1.0 CB A:ALA76 3.7 24.5 1.0 CB A:HIS73 4.0 22.9 1.0 CG A:HIS73 4.1 27.1 1.0 CZ A:ARG34 4.1 34.4 1.0 N A:HIS73 4.2 20.9 1.0 NE A:ARG34 4.3 29.6 1.0 CE1 A:HIS73 4.4 41.5 1.0 CG2 A:ILE72 4.4 14.7 1.0 O A:ILE72 4.5 19.7 1.0 C A:ILE72 4.6 21.0 1.0 CG A:ARG34 4.7 25.4 1.0 O A:HOH340 4.7 33.9 1.0 CB A:ARG34 4.8 22.7 1.0 C A:HIS73 4.8 22.1 1.0 O A:HIS73 4.8 20.8 1.0 NZ A:LYS80 4.9 52.6 1.0

F.A.Tezcan, A.Kakkis, D.Gagnon, J.Esselborn, R.D.Britt. Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites. Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
PubMed: 32830423
DOI: 10.1002/ANIE.202009226