Chlorine in PDB 6wz2: Co-Bound Structure of An Engineered Protein Trimer, TRICYT3

The structure of Co-Bound Structure of An Engineered Protein Trimer, TRICYT3, PDB code: 6wz2 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)	35.05 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.252, 78.105, 49.562, 90.00, 106.64, 90.00
R / Rfree (%)	17.5 / 21.8

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

Cobalt	(Co)	1 atom
Iron	(Fe)	3 atoms

The binding sites of Chlorine atom in the Co-Bound Structure of An Engineered Protein Trimer, TRICYT3 (pdb code 6wz2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Co-Bound Structure of An Engineered Protein Trimer, TRICYT3, PDB code: 6wz2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Co-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 Co-Bound Structure of An Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:32.4 occ:1.00 NH2 C:ARG62 3.2 19.5 1.0 NH2 B:ARG62 3.3 22.6 1.0 O A:HOH352 3.3 22.7 1.0 NH2 A:ARG62 3.3 21.6 1.0 O C:HOH350 3.4 23.0 1.0 O B:HOH339 3.4 25.6 1.0 NE A:ARG62 3.7 18.2 1.0 CZ A:ARG62 3.9 23.9 1.0 NE B:ARG62 4.0 19.5 1.0 CD1 C:ILE59 4.0 19.0 1.0 CZ C:ARG62 4.0 23.9 1.0 CZ B:ARG62 4.0 20.7 1.0 NE C:ARG62 4.0 19.4 1.0 CG1 A:ILE59 4.4 19.7 1.0 CG1 B:ILE59 4.8 24.8 1.0 CD A:ARG62 4.9 19.9 1.0

Chlorine binding site 2 out of 5 in the Co-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 Co-Bound Structure of An Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:35.7 occ:1.00 O C:HOH351 2.8 41.1 1.0 ND1 A:HIS73 3.1 22.2 1.0 NH1 A:ARG34 3.2 19.0 1.0 CB A:ALA76 3.5 20.7 1.0 CA A:HIS73 3.7 16.9 1.0 CD A:ARG34 3.7 21.6 1.0 CB A:HIS73 4.0 16.2 1.0 CG A:HIS73 4.0 19.1 1.0 CE1 A:HIS73 4.1 22.2 1.0 CZ A:ARG34 4.2 24.5 1.0 N A:HIS73 4.3 16.7 1.0 NE A:ARG34 4.4 18.1 1.0 O A:HOH324 4.4 35.5 1.0 CG2 A:ILE72 4.5 17.0 1.0 O A:ILE72 4.5 18.7 1.0 C A:ILE72 4.6 15.7 1.0 CG A:ARG34 4.7 22.6 1.0 CB A:ARG34 4.7 18.1 1.0 C A:HIS73 4.8 17.5 1.0 CZ3 C:TRP70 4.8 17.1 1.0 O A:HIS73 4.8 17.1 1.0 OD1 C:ASP74 4.9 24.5 1.0

Chlorine binding site 3 out of 5 in the Co-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 Co-Bound Structure of An Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:30.3 occ:1.00 O B:HOH347 2.5 41.8 1.0 NH1 B:ARG34 3.1 20.4 1.0 ND1 B:HIS73 3.1 23.5 1.0 O A:HOH323 3.3 39.7 1.0 CD B:ARG34 3.7 22.1 1.0 CB B:ALA76 3.7 20.0 1.0 CA B:HIS73 3.7 17.8 1.0 CG B:HIS73 4.0 20.3 1.0 CB B:HIS73 4.0 19.6 1.0 CE1 B:HIS73 4.1 23.1 1.0 CZ B:ARG34 4.1 23.5 1.0 N B:HIS73 4.3 16.2 1.0 NE B:ARG34 4.3 25.2 1.0 CG2 B:ILE72 4.5 16.2 1.0 O B:ILE72 4.6 17.7 1.0 CG B:ARG34 4.6 24.0 1.0 C B:ILE72 4.7 19.3 1.0 CZ3 A:TRP70 4.7 18.1 1.0 CB B:ARG34 4.7 22.1 1.0 OD1 A:ASP74 4.7 23.6 1.0 C B:HIS73 4.8 17.2 1.0 O B:HIS73 4.9 18.5 1.0 CE3 A:TRP70 5.0 16.6 1.0

Chlorine binding site 4 out of 5 in the Co-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 4 of Co-Bound Structure of An Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:37.8 occ:1.00 NZ C:LYS41 2.8 18.9 1.0 NZ A:LYS41 3.0 25.6 1.0 NZ B:LYS41 3.3 20.1 1.0 CE C:LYS41 3.5 24.8 1.0 O C:HOH350 3.5 23.0 1.0 O B:HOH339 3.5 25.6 1.0 CE A:LYS41 3.6 23.7 1.0 O A:HOH352 4.0 22.7 1.0 OD2 A:ASP66 4.0 21.7 1.0 OD2 C:ASP66 4.1 24.7 1.0 OD2 B:ASP66 4.1 25.3 1.0 CE B:LYS41 4.2 19.8 1.0 CD C:LYS41 4.9 22.5 1.0 CG A:ASP66 4.9 21.7 1.0 OD1 A:ASP66 4.9 24.9 1.0 CG C:ASP66 4.9 23.3 1.0 OD1 C:ASP66 4.9 25.1 1.0 CG B:ASP66 5.0 20.4 1.0 OD1 B:ASP66 5.0 22.7 1.0

Chlorine binding site 5 out of 5 in the Co-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 5 of Co-Bound Structure of An Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:32.8 occ:1.00 O B:HOH328 3.0 36.9 1.0 NH1 C:ARG34 3.3 22.7 1.0 ND1 C:HIS73 3.3 25.1 1.0 CB C:ALA76 3.6 19.1 1.0 CD C:ARG34 3.6 20.1 1.0 CA C:HIS73 3.7 17.7 1.0 CB C:HIS73 4.0 17.9 1.0 CG C:HIS73 4.1 23.1 1.0 N C:HIS73 4.2 17.1 1.0 CG2 C:ILE72 4.2 19.7 1.0 CZ C:ARG34 4.2 27.3 1.0 CE1 C:HIS73 4.3 21.1 1.0 NE C:ARG34 4.3 22.3 1.0 O C:ILE72 4.4 17.0 1.0 C C:ILE72 4.5 16.1 1.0 CG C:ARG34 4.6 21.7 1.0 CB C:ARG34 4.7 19.6 1.0 C C:HIS73 4.8 18.2 1.0 CZ3 B:TRP70 4.8 18.8 1.0 O C:HIS73 4.9 18.8 1.0 OD1 B:ASP74 4.9 26.3 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