Chlorine in PDB 7vzz: The Structure of Gdmn in Complex with the Natural Tetrahedral Intermediate, Carbamoyl Adenylate, and 20-O-Methyl-19- Chloroproansamitocin

The structure of The Structure of Gdmn in Complex with the Natural Tetrahedral Intermediate, Carbamoyl Adenylate, and 20-O-Methyl-19- Chloroproansamitocin, PDB code: 7vzz 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)	25.70 / 2.85
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.86, 111.86, 231.272, 90, 90, 120
R / Rfree (%)	17.5 / 22.5

The structure of The Structure of Gdmn in Complex with the Natural Tetrahedral Intermediate, Carbamoyl Adenylate, and 20-O-Methyl-19- Chloroproansamitocin also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the The Structure of Gdmn in Complex with the Natural Tetrahedral Intermediate, Carbamoyl Adenylate, and 20-O-Methyl-19- Chloroproansamitocin (pdb code 7vzz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Structure of Gdmn in Complex with the Natural Tetrahedral Intermediate, Carbamoyl Adenylate, and 20-O-Methyl-19- Chloroproansamitocin, PDB code: 7vzz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Structure of Gdmn in Complex with the Natural Tetrahedral Intermediate, Carbamoyl Adenylate, and 20-O-Methyl-19- Chloroproansamitocin


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 in Complex with the Natural Tetrahedral Intermediate, Carbamoyl Adenylate, and 20-O-Methyl-19- Chloroproansamitocin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl706 b:46.2 occ:1.00 CL1 A:8CW706 0.0 46.2 1.0 C41 A:8CW706 1.8 47.5 1.0 C40 A:8CW706 2.7 48.8 1.0 C43 A:8CW706 2.8 46.8 1.0 N39 A:8CW706 2.9 44.8 1.0 O44 A:8CW706 3.0 46.8 1.0 CG1 B:VAL243 3.4 32.5 1.0 CD B:PRO244 3.6 33.5 1.0 O B:MET242 3.7 36.4 1.0 CA B:VAL243 3.8 31.0 1.0 CB B:VAL243 3.8 32.5 1.0 C38 A:8CW706 3.9 43.1 1.0 CG1 A:VAL91 4.0 19.3 1.0 C48 A:8CW706 4.0 50.0 1.0 ND1 A:HIS94 4.0 35.7 1.0 C46 A:8CW706 4.1 43.0 1.0 CE2 A:PHE25 4.1 41.2 1.0 CG2 A:VAL91 4.3 24.7 1.0 C45 A:8CW706 4.4 53.1 1.0 C47 A:8CW706 4.5 44.3 1.0 C37 A:8CW706 4.5 48.0 1.0 O49 A:8CW706 4.6 45.2 1.0 CB A:VAL91 4.6 22.6 1.0 N B:PRO244 4.6 37.2 1.0 CE1 A:HIS94 4.6 35.9 1.0 C B:MET242 4.6 33.5 1.0 CZ A:PHE25 4.7 37.2 1.0 CG A:HIS94 4.7 31.8 1.0 N B:VAL243 4.7 29.9 1.0 CG B:PRO244 4.7 30.0 1.0 C B:VAL243 4.8 33.1 1.0 CA A:VAL91 4.9 28.8 1.0 CB A:HIS94 4.9 28.9 1.0

Chlorine binding site 2 out of 2 in the The Structure of Gdmn in Complex with the Natural Tetrahedral Intermediate, Carbamoyl Adenylate, and 20-O-Methyl-19- Chloroproansamitocin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Gdmn in Complex with the Natural Tetrahedral Intermediate, Carbamoyl Adenylate, and 20-O-Methyl-19- Chloroproansamitocin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl709 b:47.4 occ:1.00 CL1 B:83Z709 0.0 47.4 1.0 C09 B:83Z709 1.8 48.4 1.0 C11 B:83Z709 2.7 45.3 1.0 C06 B:83Z709 2.8 42.4 1.0 N12 B:83Z709 2.9 48.8 1.0 O07 B:83Z709 3.1 42.8 1.0 CG1 A:VAL243 3.6 25.4 1.0 CD A:PRO244 3.6 33.6 1.0 O A:MET242 3.8 34.3 1.0 C13 B:83Z709 3.8 44.1 1.0 CA A:VAL243 3.8 34.8 1.0 CB A:VAL243 3.9 33.6 1.0 CG1 B:VAL91 3.9 30.4 1.0 C28 B:83Z709 4.0 42.0 1.0 C05 B:83Z709 4.1 46.5 1.0 ND1 B:HIS94 4.1 28.6 1.0 CE2 B:PHE25 4.2 42.7 1.0 C14 B:83Z709 4.4 44.5 1.0 C08 B:83Z709 4.5 45.8 1.0 CG2 B:VAL91 4.5 25.8 1.0 C04 B:83Z709 4.5 45.4 1.0 O27 B:83Z709 4.5 40.6 1.0 CG B:HIS94 4.6 29.8 1.0 CB B:VAL91 4.6 28.2 1.0 C A:MET242 4.6 31.5 1.0 N A:PRO244 4.7 35.2 1.0 CA B:VAL91 4.7 27.1 1.0 N A:VAL243 4.7 33.3 1.0 CB B:HIS94 4.7 25.7 1.0 CG A:PRO244 4.8 29.6 1.0 CE1 B:HIS94 4.8 30.7 1.0 C A:VAL243 4.8 34.5 1.0 CZ B:PHE25 4.9 41.3 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