Chlorine in PDB 8teb: Structure of Mkbur

The structure of Structure of Mkbur, PDB code: 8teb was solved by T.S.Peat, J.Newman, L.Esquirol, T.Nebl, C.Scott, C.Vickers, F.Sainsbury, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.50 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.338, 93.034, 90.389, 90, 90.05, 90
R / Rfree (%)	18.6 / 23.8

The structure of Structure of Mkbur also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Structure of Mkbur (pdb code 8teb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Mkbur, PDB code: 8teb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Mkbur


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Mkbur within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:29.1 occ:1.00 N A:TYR61 3.3 29.2 1.0 C A:HIS59 3.4 22.7 1.0 CA A:HIS59 3.4 26.2 1.0 N A:VAL62 3.5 27.8 1.0 N A:PRO60 3.6 22.8 1.0 CB A:TYR61 3.7 26.5 1.0 O A:HIS59 3.8 25.1 1.0 CD A:PRO60 3.8 26.8 1.0 CG2 A:VAL62 3.8 34.6 1.0 CA A:TYR61 3.9 26.1 1.0 CB A:HIS59 4.1 24.6 1.0 CB A:VAL62 4.2 32.0 1.0 CD2 A:TYR61 4.2 29.5 1.0 C A:TYR61 4.2 26.5 1.0 C A:PRO60 4.3 25.8 1.0 CD2 A:HIS59 4.4 27.0 1.0 CA A:VAL62 4.4 28.8 1.0 CG A:TYR61 4.4 26.4 1.0 CA A:PRO60 4.5 24.7 1.0 CG A:PRO60 4.5 25.0 1.0 O A:VAL58 4.6 32.4 1.0 CG1 A:VAL98 4.6 27.8 1.0 CG A:HIS59 4.6 25.7 1.0 N A:HIS59 4.7 29.9 1.0

Chlorine binding site 2 out of 2 in the Structure of Mkbur


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Mkbur within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:33.9 occ:1.00 O B:HOH559 3.1 34.2 1.0 N B:ASP190 3.3 22.7 1.0 C B:PHE188 3.4 29.4 1.0 CA B:PHE188 3.4 28.2 1.0 N B:PRO189 3.5 28.3 1.0 CD B:PRO189 3.6 28.8 1.0 N B:VAL191 3.8 25.0 1.0 CB B:ASP190 3.8 28.8 1.0 O B:PHE188 3.9 29.4 1.0 CA B:ASP190 3.9 23.7 1.0 CG2 B:VAL191 4.0 29.4 1.0 CB B:PHE188 4.0 29.7 1.0 C B:ASP190 4.1 27.0 1.0 CG B:PRO189 4.2 27.7 1.0 C B:PRO189 4.3 23.0 1.0 OD2 B:ASP190 4.4 37.3 1.0 CA B:PRO189 4.4 25.3 1.0 CG B:ASP190 4.5 30.4 1.0 CD1 B:PHE188 4.6 27.7 1.0 O B:ARG187 4.6 32.1 1.0 CB B:VAL191 4.7 28.0 1.0 N B:PHE188 4.7 31.9 1.0 CD1 A:ILE205 4.7 47.3 1.0 CG1 A:ILE205 4.8 41.9 1.0 CA B:VAL191 4.8 27.1 1.0 CG B:PHE188 4.8 27.7 1.0

L.Esquirol, J.Newman, T.Nebl, C.Scott, C.Vickers, F.Sainsbury, T.S.Peat. Characterization of Novel Mevalonate Kinases From the Tardigrade Ramazzottius Varieornatus and the Psychrophilic Archaeon Methanococcoides Burtonii. Acta Crystallogr D Struct V. 80 203 2024BIOL.
ISSN: ISSN 2059-7983
PubMed: 38411551
DOI: 10.1107/S2059798324001360