Bromine in PDB 6zvo: Crystal Structure of Unliganded Mlkl Executioner Domain

The structure of Crystal Structure of Unliganded Mlkl Executioner Domain, PDB code: 6zvo was solved by D.Fiegen, M.Bauer, H.Nar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.16 / 1.37
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.057, 53.501, 70.912, 90.00, 98.36, 90.00
R / Rfree (%)	19 / 23.4

The structure of Crystal Structure of Unliganded Mlkl Executioner Domain also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Bromine atom in the Crystal Structure of Unliganded Mlkl Executioner Domain (pdb code 6zvo). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Unliganded Mlkl Executioner Domain, PDB code: 6zvo:

Bromine binding site 1 out of 1 in the Crystal Structure of Unliganded Mlkl Executioner Domain


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Unliganded Mlkl Executioner Domain within 5.0Å range: probe atom residue distance (Å) B Occ C:Br201 b:37.3 occ:0.41 SD C:MET62 3.1 23.0 0.5 CE C:MET62 3.1 22.8 0.5 OG1 C:THR59 3.2 28.9 1.0 ND2 C:ASN3 3.4 31.1 1.0 CG2 C:THR59 3.8 28.0 1.0 CB C:THR59 3.9 27.7 1.0 CB C:ASN3 3.9 30.9 1.0 CA C:THR59 4.0 25.7 1.0 CG C:ASN3 4.1 31.4 1.0 CG C:PRO54 4.2 44.4 1.0 CG C:MET62 4.3 21.2 0.5 CB C:MET62 4.3 20.7 0.5 CB C:MET62 4.4 20.7 0.5 CG C:MET62 4.4 21.2 0.5 CE C:MET62 4.5 23.1 0.5 CB C:PRO54 4.5 42.7 1.0 N C:THR59 4.8 24.9 1.0 O C:THR59 4.9 24.6 1.0 C C:THR59 5.0 25.1 1.0

M.Rubbelke, D.Fiegen, M.Bauer, F.Binder, J.Hamilton, J.King, S.Thamm, H.Nar, M.Zeeb. Locking Mixed-Lineage Kinase Domain-Like Protein in Its Auto-Inhibited State Prevents Necroptosis. Proc.Natl.Acad.Sci.Usa 2020.
ISSN: ESSN 1091-6490
PubMed: 33318170
DOI: 10.1073/PNAS.2017406117