Chlorine in PDB 6mgb: Thermosulfurimonas Dismutans Kpsc, Beta Kdo 2,4 Transferase

The structure of Thermosulfurimonas Dismutans Kpsc, Beta Kdo 2,4 Transferase, PDB code: 6mgb was solved by L.Doyle, E.Mallette, M.S.Kimber, C.Whitfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.23 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.020, 65.540, 121.080, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.3

The structure of Thermosulfurimonas Dismutans Kpsc, Beta Kdo 2,4 Transferase also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Thermosulfurimonas Dismutans Kpsc, Beta Kdo 2,4 Transferase (pdb code 6mgb). 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 Thermosulfurimonas Dismutans Kpsc, Beta Kdo 2,4 Transferase, PDB code: 6mgb:

Chlorine binding site 1 out of 1 in the Thermosulfurimonas Dismutans Kpsc, Beta Kdo 2,4 Transferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thermosulfurimonas Dismutans Kpsc, Beta Kdo 2,4 Transferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:32.5 occ:1.00 HG1 A:THR46 2.4 41.9 1.0 H A:TRP41 2.5 34.5 1.0 HD11 A:ILE10 3.0 50.5 1.0 HB3 A:SER7 3.0 53.6 1.0 O A:HOH546 3.1 42.1 1.0 OG1 A:THR46 3.1 34.9 1.0 HA2 A:GLY40 3.1 39.0 1.0 HB2 A:ALA47 3.2 38.3 1.0 O A:HOH568 3.2 29.5 1.0 HD2 A:LYS44 3.2 66.3 1.0 HA A:ALA47 3.3 42.0 1.0 N A:TRP41 3.3 28.7 1.0 N A:ALA47 3.6 30.7 1.0 HB2 A:SER7 3.6 53.6 1.0 HB3 A:TRP41 3.6 45.0 1.0 HB A:THR46 3.6 39.6 1.0 H A:ALA47 3.6 36.8 1.0 CB A:SER7 3.7 44.7 1.0 CA A:ALA47 3.7 35.0 1.0 HA3 A:GLY40 3.8 39.0 1.0 CA A:GLY40 3.8 32.5 1.0 CB A:THR46 3.9 33.0 1.0 CD1 A:ILE10 3.9 42.0 1.0 CB A:ALA47 3.9 31.9 1.0 C A:THR46 3.9 38.6 1.0 HG3 A:LYS44 4.0 50.0 1.0 HG A:SER7 4.0 53.2 1.0 HB2 A:TRP41 4.0 45.0 1.0 HG13 A:ILE10 4.0 52.4 1.0 C A:GLY40 4.1 30.6 1.0 CD A:LYS44 4.1 55.2 1.0 CB A:TRP41 4.1 37.5 1.0 HG2 A:LYS44 4.2 50.0 1.0 CA A:TRP41 4.2 28.4 1.0 HD12 A:ILE10 4.3 50.5 1.0 HG12 A:ILE10 4.3 52.4 1.0 CG A:LYS44 4.3 41.6 1.0 CG1 A:ILE10 4.3 43.7 1.0 O A:THR46 4.3 33.5 1.0 O A:TRP41 4.4 27.2 1.0 OG A:SER7 4.4 44.4 1.0 HB1 A:ALA47 4.4 38.3 1.0 HD13 A:ILE10 4.5 50.5 1.0 CA A:THR46 4.5 32.3 1.0 HD3 A:LYS44 4.6 66.3 1.0 HB3 A:ALA47 4.6 38.3 1.0 C A:TRP41 4.7 31.5 1.0 H A:PHE6 4.8 36.0 1.0 HZ2 A:LYS44 4.8 69.7 1.0 N A:SER7 4.9 36.2 1.0 CA A:SER7 4.9 38.2 1.0 H A:SER7 5.0 43.5 1.0

L.Doyle, O.G.Ovchinnikova, K.Myler, E.Mallette, B.S.Huang, T.L.Lowary, M.S.Kimber, C.Whitfield. Biosynthesis of A Conserved Glycolipid Anchor For Gram-Negative Bacterial Capsules. Nat.Chem.Biol. V. 15 632 2019.
ISSN: ESSN 1552-4469
PubMed: 31036922
DOI: 10.1038/S41589-019-0276-8