Chlorine in PDB 7vzq: The Structure of Gdmn V24Y/G157A/R158A/G188R Mutant in Complex with Carbamoyl Adenylate Intermediate

The structure of The Structure of Gdmn V24Y/G157A/R158A/G188R Mutant in Complex with Carbamoyl Adenylate Intermediate, PDB code: 7vzq was solved by J.Wei, J.Zheng, J.Zhou, Q.Kang, L.Bai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.43 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.092, 111.092, 231.802, 90, 90, 120
R / Rfree (%)	19.6 / 23.3

The structure of The Structure of Gdmn V24Y/G157A/R158A/G188R Mutant in Complex with Carbamoyl Adenylate Intermediate also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the The Structure of Gdmn V24Y/G157A/R158A/G188R Mutant in Complex with Carbamoyl Adenylate Intermediate (pdb code 7vzq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Structure of Gdmn V24Y/G157A/R158A/G188R Mutant in Complex with Carbamoyl Adenylate Intermediate, PDB code: 7vzq:

Chlorine binding site 1 out of 1 in the The Structure of Gdmn V24Y/G157A/R158A/G188R Mutant in Complex with Carbamoyl Adenylate Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Gdmn V24Y/G157A/R158A/G188R Mutant in Complex with Carbamoyl Adenylate Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl708 b:61.5 occ:1.00 O B:HOH883 3.2 48.2 1.0 CE1 B:HIS422 3.6 44.0 1.0 NE B:ARG512 3.6 56.0 1.0 NH2 B:ARG512 3.9 58.8 1.0 ND1 B:HIS422 3.9 45.0 1.0 CB B:TYR410 4.1 46.1 1.0 CZ B:ARG512 4.2 59.8 1.0 CB B:ARG512 4.4 52.4 1.0 O B:TYR410 4.5 43.0 1.0 C B:TYR410 4.5 41.6 1.0 CD B:ARG512 4.6 53.0 1.0 NE2 B:HIS422 4.7 43.0 1.0 CA B:GLY411 4.7 43.5 1.0 N B:GLY411 4.8 44.5 1.0 CG B:TYR410 4.8 52.2 1.0 CD1 B:TYR410 5.0 53.9 1.0 CA B:TYR410 5.0 45.2 1.0

J.Wei, X.Zhang, Y.Zhou, X.Cheng, Z.Lin, M.Tang, J.Zheng, B.Wang, Q.Kang, L.Bai. Endowing Homodimeric Carbamoyltransferase Gdmn with Iterative Functions Through Structural Characterization and Mechanistic Studies. Nat Commun V. 13 6617 2022.
ISSN: ESSN 2041-1723
PubMed: 36329057
DOI: 10.1038/S41467-022-34387-2