Chlorine in PDB 6wz1: Mn-Bound Structure of An Engineered Protein Trimer, TRICYT3

Protein crystallography data

The structure of Mn-Bound Structure of An Engineered Protein Trimer, TRICYT3, PDB code: 6wz1 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) 34.79 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.759, 77.392, 47.940, 90.00, 110.70, 90.00
R / Rfree (%) 17.6 / 22.9

Other elements in 6wz1:

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

Manganese (Mn) 1 atom
Iron (Fe) 3 atoms
Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mn-Bound Structure of An Engineered Protein Trimer, TRICYT3 (pdb code 6wz1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Mn-Bound Structure of An Engineered Protein Trimer, TRICYT3, PDB code: 6wz1:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6wz1

Go back to Chlorine Binding Sites List in 6wz1
Chlorine binding site 1 out of 4 in the Mn-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 Mn-Bound Structure of An Engineered Protein Trimer, TRICYT3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:32.5
occ:1.00
NH1 A:ARG34 3.2 18.1 1.0
CA A:HIS73 3.5 17.3 1.0
CB A:ALA76 3.6 20.9 1.0
CB A:HIS73 3.7 19.5 1.0
CD2 A:HIS73 3.8 18.9 1.0
CD A:ARG34 3.9 18.4 1.0
CG A:HIS73 4.1 23.8 1.0
CZ A:ARG34 4.3 16.9 1.0
N A:HIS73 4.3 13.6 1.0
O A:HIS73 4.5 14.6 1.0
NE A:ARG34 4.5 18.6 1.0
CZ3 C:TRP70 4.5 15.9 1.0
C A:HIS73 4.5 21.4 1.0
O A:HOH320 4.6 27.4 1.0
OD1 C:ASP74 4.7 18.7 1.0
O A:ILE72 4.8 15.3 1.0
C A:ILE72 4.8 15.1 1.0
CE3 C:TRP70 4.9 14.8 1.0
CG A:ARG34 4.9 20.5 1.0
CE1 C:HIS73 4.9 32.5 1.0
CG2 A:ILE72 5.0 15.7 1.0

Chlorine binding site 2 out of 4 in 6wz1

Go back to Chlorine Binding Sites List in 6wz1
Chlorine binding site 2 out of 4 in the Mn-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 Mn-Bound Structure of An Engineered Protein Trimer, TRICYT3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:20.6
occ:1.00
NH2 B:ARG62 3.3 12.1 1.0
O C:HOH361 3.3 21.7 1.0
NH2 C:ARG62 3.3 15.6 1.0
O A:HOH331 3.4 21.4 1.0
O B:HOH362 3.5 21.1 1.0
NH2 A:ARG62 3.5 13.9 1.0
NE A:ARG62 3.9 14.2 1.0
NE B:ARG62 4.0 13.8 1.0
NE C:ARG62 4.0 13.5 1.0
CZ B:ARG62 4.0 18.0 1.0
CD1 C:ILE59 4.0 12.7 1.0
CZ C:ARG62 4.0 11.9 1.0
CZ A:ARG62 4.1 14.1 1.0
CD1 B:ILE59 4.3 19.3 1.0
CD1 A:ILE59 4.5 23.8 1.0
CB C:ALA54 4.7 15.3 1.0
CG1 A:ILE59 4.8 25.1 1.0
CG1 B:ILE59 4.9 22.4 1.0

Chlorine binding site 3 out of 4 in 6wz1

Go back to Chlorine Binding Sites List in 6wz1
Chlorine binding site 3 out of 4 in the Mn-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 Mn-Bound Structure of An Engineered Protein Trimer, TRICYT3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:22.4
occ:1.00
NZ C:LYS41 3.1 17.2 1.0
NZ A:LYS41 3.2 14.3 1.0
O B:HOH362 3.3 21.1 1.0
NZ B:LYS41 3.3 16.9 1.0
O C:HOH361 3.5 21.7 1.0
CE C:LYS41 3.6 10.3 1.0
CE A:LYS41 3.8 13.4 1.0
O A:HOH331 3.9 21.4 1.0
CE B:LYS41 4.2 13.5 1.0
OD2 B:ASP66 4.2 17.1 1.0
OD2 C:ASP66 4.4 14.3 1.0
OD2 A:ASP66 4.4 13.7 1.0

Chlorine binding site 4 out of 4 in 6wz1

Go back to Chlorine Binding Sites List in 6wz1
Chlorine binding site 4 out of 4 in the Mn-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 Mn-Bound Structure of An Engineered Protein Trimer, TRICYT3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:52.4
occ:1.00
O C:HOH351 2.9 16.5 1.0
NE C:ARG106 3.0 9.4 1.0
O C:HOH332 3.5 23.0 1.0
CG C:ARG106 3.6 12.8 1.0
CD C:ARG106 3.8 17.7 1.0
CZ C:ARG106 3.9 11.2 1.0
NH2 C:ARG106 3.9 9.4 1.0
CB C:ARG106 4.1 14.8 1.0
O C:ARG106 4.5 22.4 1.0
C C:ARG106 4.6 22.5 1.0
OXT C:ARG106 4.9 21.2 1.0

Reference:

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
Page generated: Sat Dec 12 14:32:11 2020

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