Chlorine in PDB 6wza: Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1

The structure of Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1, PDB code: 6wza 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)	39.35 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	82.115, 82.115, 137.517, 90.00, 90.00, 120.00
R / Rfree (%)	24.1 / 30.6

The structure of Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1 also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Iron	(Fe)	3 atoms
Sodium	(Na)	5 atoms

The binding sites of Chlorine atom in the Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1 (pdb code 6wza). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1, PDB code: 6wza:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1


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 Metal-Dependent Protein Trimer, TRICYT1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:66.6 occ:1.00 NH1 A:ARG34 3.8 31.4 1.0 NE A:ARG34 3.9 27.7 1.0 CZ A:ARG34 4.3 31.6 1.0 CB A:ALA35 4.7 31.4 1.0 CG2 B:ILE67 4.8 19.9 1.0 CD1 B:ILE67 4.8 32.5 1.0 CA A:ALA35 4.9 24.6 1.0 N A:ALA35 4.9 19.9 1.0 CB B:TRP70 4.9 28.4 1.0 CG B:GLN71 5.0 18.8 1.0 CD A:ARG34 5.0 30.2 1.0 CG2 A:THR31 5.0 21.2 1.0 CG A:ARG34 5.0 22.3 1.0 O A:THR31 5.0 27.8 1.0

Chlorine binding site 2 out of 6 in the Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1


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 Metal-Dependent Protein Trimer, TRICYT1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:78.0 occ:1.00 CD2 A:HIS59 3.9 43.8 1.0 O A:HIS59 4.2 31.5 1.0 NE A:ARG62 4.2 39.9 1.0 CB A:ARG62 4.4 28.2 1.0 O A:HOH308 4.5 23.8 1.0 CA A:HIS59 4.6 31.1 1.0 CG A:HIS59 4.6 38.6 1.0 O C:GLN41 4.7 33.6 1.0 N A:HIS63 4.7 23.4 1.0 CB A:HIS59 4.7 30.6 1.0 ND2 A:ASN66 4.8 23.7 1.0 C A:HIS59 4.8 33.9 1.0 NE2 A:HIS59 4.9 39.7 1.0 NH2 A:ARG62 4.9 32.3 1.0 CB C:GLN41 5.0 30.1 1.0 CD A:ARG62 5.0 32.5 1.0 CG C:LYS42 5.0 30.0 1.0 C C:GLN41 5.0 29.5 1.0

Chlorine binding site 3 out of 6 in the Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1


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 Metal-Dependent Protein Trimer, TRICYT1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:69.8 occ:1.00 NH1 B:ARG62 2.4 32.9 1.0 CD B:ARG62 3.2 33.9 1.0 CE1 C:HIS59 3.4 42.7 1.0 CE B:MET58 3.4 29.3 1.0 CZ B:ARG62 3.5 43.6 1.0 CG B:ARG62 3.7 27.8 1.0 NE B:ARG62 3.7 51.8 1.0 O B:GLN41 3.9 37.0 1.0 ND1 C:HIS59 4.0 48.2 1.0 NE2 C:HIS59 4.1 38.7 1.0 O B:ALA43 4.2 31.1 1.0 NH2 B:ARG62 4.6 38.9 1.0 C B:LYS42 4.7 32.6 1.0 O B:LYS42 4.7 41.2 1.0 CA B:LYS42 4.8 34.5 1.0 OG1 B:THR44 4.9 36.9 1.0 C B:ALA43 4.9 30.6 1.0 N B:ALA43 4.9 36.0 1.0

Chlorine binding site 4 out of 6 in the Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:75.1 occ:1.00 CE1 B:HIS77 3.8 22.7 1.0 CE1 C:HIS73 3.9 23.8 1.0 ND1 B:HIS77 3.9 20.2 1.0 OD1 C:ASP74 4.1 29.4 1.0 NE2 B:HIS77 4.2 26.8 1.0 CG B:LEU76 4.2 37.6 1.0 CG B:HIS77 4.4 28.0 1.0 CD2 B:HIS77 4.5 24.6 1.0 ND1 C:HIS73 4.7 19.3 1.0 CG C:ASP74 4.7 30.0 1.0 N B:HIS77 4.8 28.5 1.0 CA B:HIS77 4.8 28.7 1.0 CB B:ASN80 4.8 40.9 1.0 NE2 C:HIS73 4.8 19.5 1.0 O B:LEU76 4.8 24.8 1.0 C B:LEU76 4.8 32.1 1.0 CB B:LEU76 4.8 23.2 1.0 CD2 B:LEU76 4.9 34.4 1.0 CG B:ASN80 4.9 44.4 1.0

Chlorine binding site 5 out of 6 in the Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl205 b:74.2 occ:1.00 NE C:ARG62 3.5 53.5 1.0 ND1 C:HIS59 3.9 48.2 1.0 NH2 C:ARG62 4.0 37.4 1.0 CB C:ARG62 4.1 25.7 1.0 CZ C:ARG62 4.2 44.2 1.0 O C:HIS59 4.3 26.1 1.0 CD C:ARG62 4.4 34.6 1.0 CA C:HIS59 4.7 34.8 1.0 CE1 C:HIS59 4.7 42.7 1.0 CG C:HIS59 4.9 34.3 1.0 CG C:ARG62 4.9 26.0 1.0 N C:HIS63 4.9 23.8 1.0 ND2 C:ASN66 4.9 27.2 1.0 CB C:HIS59 5.0 28.6 1.0 O B:GLN41 5.0 37.0 1.0 C C:HIS59 5.0 29.8 1.0

Chlorine binding site 6 out of 6 in the Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Ni-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl206 b:86.0 occ:1.00 NH1 C:ARG34 3.5 24.0 1.0 NE C:ARG34 3.9 29.7 1.0 CG2 C:THR31 4.1 32.0 1.0 CZ C:ARG34 4.2 32.0 1.0 CB C:ALA35 4.5 28.3 1.0 O C:THR31 4.7 23.0 1.0 CG A:GLN71 4.9 24.7 1.0 N C:ALA35 4.9 23.2 1.0 CA C:ALA35 5.0 24.9 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