Chlorine in PDB 7yr9: Crystal Structure of the Immature Form of Ttpeta

All present enzymatic activity of Crystal Structure of the Immature Form of Ttpeta:
7.1.1.8;

The structure of Crystal Structure of the Immature Form of Ttpeta, PDB code: 7yr9 was solved by E.Tsutsumi, S.Niwa, K.Takeda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.596, 98.711, 51.052, 90, 90.03, 90
R / Rfree (%)	20.4 / 23.4

The structure of Crystal Structure of the Immature Form of Ttpeta also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Immature Form of Ttpeta (pdb code 7yr9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Immature Form of Ttpeta, PDB code: 7yr9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Immature Form of Ttpeta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Immature Form of Ttpeta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:14.3 occ:1.00 ZN A:ZN201 2.2 14.7 1.0 OG A:SER157 3.0 13.1 1.0 CB A:HIS155 3.2 17.7 1.0 N A:HIS155 3.4 17.5 1.0 CB A:SER157 3.5 11.2 1.0 N A:SER157 3.5 10.7 1.0 CA A:HIS155 3.5 17.4 1.0 C A:HIS155 3.6 17.1 1.0 SG A:CYS152 3.7 14.1 1.0 CL A:CL203 3.7 17.5 1.0 CB A:CYS152 3.8 12.8 1.0 ND1 A:HIS126 3.8 17.1 1.0 SG A:CYS124 3.8 15.1 1.0 N A:GLY156 3.9 16.1 1.0 CB A:HIS126 4.0 14.1 1.0 O A:HIS155 4.1 16.4 1.0 CA A:SER157 4.1 11.3 1.0 CG A:HIS155 4.1 20.6 1.0 CB A:PRO170 4.3 12.0 1.0 CD2 A:HIS155 4.3 19.7 1.0 CG A:HIS126 4.3 14.9 1.0 CG A:PRO170 4.4 13.2 1.0 C A:CYS154 4.5 17.9 1.0 C A:GLY156 4.5 12.4 1.0 CD A:PRO170 4.6 11.8 1.0 CA A:GLY156 4.7 13.9 1.0 O A:CYS152 4.8 14.4 1.0 CE1 A:HIS126 4.8 15.5 1.0 CB A:CYS154 4.9 16.2 1.0 N A:ALA171 5.0 11.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Immature Form of Ttpeta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Immature Form of Ttpeta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:17.5 occ:1.00 ZN A:ZN201 2.5 14.7 1.0 N A:LEU127 3.2 13.1 1.0 CB A:LEU127 3.6 15.2 1.0 CA A:LEU127 3.6 13.4 1.0 N A:CYS129 3.7 14.0 1.0 C A:LEU127 3.7 13.2 1.0 CL A:CL202 3.7 14.3 1.0 N A:GLY128 3.8 12.6 1.0 SG A:CYS129 3.9 21.7 1.0 SG A:CYS152 3.9 14.1 1.0 CB A:CYS129 3.9 16.9 1.0 CB A:HIS126 3.9 14.1 1.0 ND1 A:HIS126 4.0 17.1 1.0 SG A:CYS124 4.0 15.1 1.0 CB A:CYS154 4.0 16.2 1.0 CB A:CYS124 4.0 12.9 1.0 CD2 A:HIS155 4.2 19.7 1.0 C A:HIS126 4.3 13.7 1.0 CG A:HIS126 4.3 14.9 1.0 O A:LEU127 4.4 13.9 1.0 CA A:CYS129 4.4 15.8 1.0 CG A:LEU127 4.6 15.3 1.0 CA A:HIS126 4.6 13.7 1.0 C A:GLY128 4.7 14.6 1.0 CA A:GLY128 4.7 12.4 1.0 SG A:CYS154 4.8 21.5 1.0 N A:HIS126 4.9 14.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Immature Form of Ttpeta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Immature Form of Ttpeta within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:14.2 occ:1.00 ZN B:ZN201 2.4 14.0 1.0 OG B:SER157 3.1 13.6 1.0 CB B:HIS155 3.2 17.3 1.0 CB B:SER157 3.4 12.1 1.0 N B:HIS155 3.5 17.9 1.0 N B:SER157 3.5 9.4 1.0 CA B:HIS155 3.6 17.4 1.0 ND1 B:HIS126 3.6 16.0 1.0 C B:HIS155 3.6 17.2 1.0 SG B:CYS152 3.7 14.2 1.0 CL B:CL203 3.7 18.4 1.0 SG B:CYS124 3.8 17.0 1.0 CB B:CYS152 3.8 13.4 1.0 N B:GLY156 3.8 15.3 1.0 CB B:HIS126 4.0 12.8 1.0 CA B:SER157 4.1 11.4 1.0 CG B:HIS155 4.1 20.0 1.0 O B:HIS155 4.1 16.6 1.0 CG B:HIS126 4.2 13.6 1.0 CD2 B:HIS155 4.3 18.7 1.0 CB B:PRO170 4.3 10.2 1.0 CG B:PRO170 4.5 10.6 1.0 C B:GLY156 4.5 11.6 1.0 C B:CYS154 4.5 18.4 1.0 CD B:PRO170 4.5 10.0 1.0 CE1 B:HIS126 4.6 14.3 1.0 CA B:GLY156 4.7 13.3 1.0 O B:CYS152 4.7 13.9 1.0 N B:ALA171 5.0 10.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Immature Form of Ttpeta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Immature Form of Ttpeta within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:18.4 occ:1.00 ZN B:ZN201 2.3 14.0 1.0 N B:LEU127 3.3 13.9 1.0 N B:CYS129 3.6 13.0 1.0 CB B:LEU127 3.7 16.2 1.0 CA B:LEU127 3.7 14.7 1.0 SG B:CYS152 3.7 14.2 1.0 CB B:CYS129 3.7 15.1 1.0 CL B:CL202 3.7 14.2 1.0 C B:LEU127 3.8 14.9 1.0 SG B:CYS129 3.8 19.6 1.0 N B:GLY128 3.8 14.8 1.0 SG B:CYS124 3.9 17.0 1.0 ND1 B:HIS126 3.9 16.0 1.0 CB B:CYS124 3.9 14.5 1.0 CB B:CYS154 4.0 17.8 1.0 CB B:HIS126 4.0 12.8 1.0 O B:HOH337 4.1 18.1 1.0 CD2 B:HIS155 4.2 18.7 1.0 CA B:CYS129 4.3 14.5 1.0 CG B:HIS126 4.4 13.6 1.0 O B:LEU127 4.4 15.5 1.0 C B:HIS126 4.4 13.9 1.0 C B:GLY128 4.6 14.7 1.0 CG B:LEU127 4.7 17.6 1.0 CA B:GLY128 4.7 13.3 1.0 CA B:HIS126 4.7 13.3 1.0 SG B:CYS154 4.8 20.4 1.0 N B:HIS126 5.0 14.2 1.0 CE1 B:HIS126 5.0 14.3 1.0

E.Tsutsumi, S.Niwa, R.Takeda, N.Sakamoto, K.Okatsu, S.Fukai, H.Ago, S.Nagao, H.Sekiguchi, K.Takeda. Structure of A Putative Immature Form of A Rieske-Type Iron-Sulfur Protein in Complex with Zinc Chloride. Commun Chem V. 6 190 2023.
ISSN: ESSN 2399-3669
PubMed: 37689761
DOI: 10.1038/S42004-023-01000-6