Chlorine in PDB 8vzi: Crystal Structure of 2-Hydroxyacyl-Coa Lyase/Synthase Cchacs From Conidiobolus Coronatus in the Complex with Thdp and Adp

The structure of Crystal Structure of 2-Hydroxyacyl-Coa Lyase/Synthase Cchacs From Conidiobolus Coronatus in the Complex with Thdp and Adp, PDB code: 8vzi was solved by Y.Kim, P.Gade, M.Endres, S.Lee, Y.Yoshikuni, R.Gonzalez, K.Michalska, A.Joachimiak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.82 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.742, 179.286, 96.826, 90, 108.23, 90
R / Rfree (%)	15.6 / 19.6

The structure of Crystal Structure of 2-Hydroxyacyl-Coa Lyase/Synthase Cchacs From Conidiobolus Coronatus in the Complex with Thdp and Adp also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of 2-Hydroxyacyl-Coa Lyase/Synthase Cchacs From Conidiobolus Coronatus in the Complex with Thdp and Adp (pdb code 8vzi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of 2-Hydroxyacyl-Coa Lyase/Synthase Cchacs From Conidiobolus Coronatus in the Complex with Thdp and Adp, PDB code: 8vzi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of 2-Hydroxyacyl-Coa Lyase/Synthase Cchacs From Conidiobolus Coronatus in the Complex with Thdp and Adp


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 2-Hydroxyacyl-Coa Lyase/Synthase Cchacs From Conidiobolus Coronatus in the Complex with Thdp and Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl611 b:55.0 occ:1.00 CD A:ARG392 3.7 28.0 1.0 NH1 A:ARG392 3.8 28.1 1.0 CA A:PRO543 3.9 35.6 1.0 CB A:PRO543 3.9 36.1 1.0 CB A:TYR474 4.0 27.8 1.0 O A:TYR474 4.0 26.8 1.0 NE A:ARG392 4.1 24.8 1.0 CZ A:ARG392 4.1 28.1 1.0 C A:PRO543 4.3 30.6 1.0 CD2 A:TYR474 4.3 39.7 1.0 C A:TYR474 4.5 23.6 1.0 CG A:TYR474 4.7 29.2 1.0 CG A:ARG392 4.8 29.2 1.0 CA A:TYR474 4.8 25.0 1.0 CD2 A:HIS475 5.0 32.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of 2-Hydroxyacyl-Coa Lyase/Synthase Cchacs From Conidiobolus Coronatus in the Complex with Thdp and Adp


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 2-Hydroxyacyl-Coa Lyase/Synthase Cchacs From Conidiobolus Coronatus in the Complex with Thdp and Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl610 b:50.8 occ:1.00 CB B:PRO543 3.7 30.5 1.0 CD B:ARG392 3.8 29.5 1.0 NH1 B:ARG392 3.8 22.7 1.0 CA B:PRO543 3.9 31.5 1.0 CB B:TYR474 3.9 22.5 1.0 NE B:ARG392 4.0 27.9 1.0 O B:TYR474 4.1 20.1 1.0 CZ B:ARG392 4.1 29.4 1.0 CD2 B:TYR474 4.2 30.2 1.0 C B:PRO543 4.2 34.2 1.0 C B:TYR474 4.5 24.4 1.0 CG B:TYR474 4.6 31.7 1.0 CD2 B:HIS475 4.7 30.0 1.0 CA B:TYR474 4.7 22.7 1.0 CG B:ARG392 4.8 27.2 1.0 NH2 B:ARG392 4.9 27.8 1.0 CB B:HIS475 4.9 22.2 1.0 CG B:HIS475 5.0 28.8 1.0

Y.Kim, S.H.Lee, P.Gade, M.Nattermann, N.Maltseva, M.Endres, J.Chen, P.Wichmann, Y.Hu, D.G.Marchal, Y.Yoshikuni, T.J.Erb, R.Gonzalez, K.Michalska, A.Joachimiak. Revealing Reaction Intermediates in One-Carbon Elongation By Thiamine Diphosphate/Coa-Dependent Enzyme Family. Commun Chem V. 7 160 2024.
ISSN: ESSN 2399-3669
PubMed: 39034323
DOI: 10.1038/S42004-024-01242-Y