Chlorine in PDB 9ezd: Bsmi (Bottom Nicking Mutant) Crystallized with MG2+ and Cognate Dsdna (Post-Reactive Complex)

The structure of Bsmi (Bottom Nicking Mutant) Crystallized with MG2+ and Cognate Dsdna (Post-Reactive Complex), PDB code: 9ezd was solved by R.Sieskind, S.Missoury, C.Madru, I.Commenge, G.Niogret, Y.Rondelez, A.Haouz, P.Legrand, L.Sauguet, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.45 / 2.64
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.213, 130.419, 62.542, 90, 90, 90
R / Rfree (%)	21.9 / 25.2

The structure of Bsmi (Bottom Nicking Mutant) Crystallized with MG2+ and Cognate Dsdna (Post-Reactive Complex) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Bsmi (Bottom Nicking Mutant) Crystallized with MG2+ and Cognate Dsdna (Post-Reactive Complex) (pdb code 9ezd). 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 Bsmi (Bottom Nicking Mutant) Crystallized with MG2+ and Cognate Dsdna (Post-Reactive Complex), PDB code: 9ezd:

Chlorine binding site 1 out of 1 in the Bsmi (Bottom Nicking Mutant) Crystallized with MG2+ and Cognate Dsdna (Post-Reactive Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bsmi (Bottom Nicking Mutant) Crystallized with MG2+ and Cognate Dsdna (Post-Reactive Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:47.8 occ:1.00 CG A:GLU240 3.3 32.5 1.0 CD A:GLU240 3.4 39.1 1.0 O A:HOH834 3.6 15.7 1.0 N A:PHE241 3.7 25.6 1.0 OE1 A:GLU240 3.8 41.8 1.0 OE2 A:GLU240 3.8 40.8 1.0 CB A:GLU240 3.9 27.9 1.0 C A:GLU240 3.9 25.8 1.0 CA A:PHE241 3.9 26.2 1.0 O A:GLU240 4.1 26.4 1.0 CB A:PHE241 4.5 26.5 1.0 O A:PHE200 4.5 38.2 1.0 CA A:GLU240 4.5 25.3 1.0 O A:LYS237 4.6 23.0 1.0 CD A:LYS244 4.6 31.1 1.0

R.Sieskind, S.Missoury, C.Madru, I.Commenge, G.Niogret, M.Hollenstein, Y.Rondelez, L.Sauguet, A.Haouz, P.Legrand, M.Delarue. Crystal Structures of Monomeric Bsmi Restriction Endonuclease Reveal Coordinated Sequential Cleavage of Two Dna Strands. Commun Biol V. 8 387 2025.
ISSN: ESSN 2399-3642
PubMed: 40055548
DOI: 10.1038/S42003-025-07612-Z