Calcium in PDB 7lha: Structure of the Exo-L-Galactose-6-Sulfatase BUS1_11 From Bacteroides Uniformis

The structure of Structure of the Exo-L-Galactose-6-Sulfatase BUS1_11 From Bacteroides Uniformis, PDB code: 7lha was solved by C.S.Robb, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.60 / 1.95
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.41, 89.41, 264.79, 90, 90, 90
R / Rfree (%)	14.8 / 19.4

The structure of Structure of the Exo-L-Galactose-6-Sulfatase BUS1_11 From Bacteroides Uniformis also contains other interesting chemical elements:

Nickel

(Ni)

4 atoms

The binding sites of Calcium atom in the Structure of the Exo-L-Galactose-6-Sulfatase BUS1_11 From Bacteroides Uniformis (pdb code 7lha). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of the Exo-L-Galactose-6-Sulfatase BUS1_11 From Bacteroides Uniformis, PDB code: 7lha:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the Exo-L-Galactose-6-Sulfatase BUS1_11 From Bacteroides Uniformis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Exo-L-Galactose-6-Sulfatase BUS1_11 From Bacteroides Uniformis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:25.9 occ:1.00 OD1 A:ASP37 2.3 15.8 1.0 OD1 A:ASP38 2.3 11.8 1.0 OG A:SER80 2.4 10.6 1.0 NE2 A:GLN331 2.4 6.4 1.0 OD2 A:ASP330 2.5 12.3 1.0 OD1 A:ASP330 2.7 9.0 1.0 CG A:ASP330 2.9 8.3 1.0 CG A:ASP38 3.3 14.3 1.0 CD A:GLN331 3.4 15.2 1.0 CB A:SER80 3.4 8.1 1.0 N A:ASP38 3.4 8.4 1.0 CG A:ASP37 3.4 18.2 1.0 OE1 A:GLN331 3.6 14.9 1.0 CA A:SER80 3.8 8.4 1.0 CA A:ASP38 4.0 10.9 1.0 C A:ASP37 4.1 11.1 1.0 OD2 A:ASP38 4.1 15.3 1.0 N A:SER80 4.2 5.8 1.0 CA A:ASP37 4.2 7.6 1.0 OD2 A:ASP37 4.2 14.9 1.0 CB A:ASP38 4.2 9.8 1.0 CB A:ASP330 4.3 9.8 1.0 CB A:ASP37 4.4 10.7 1.0 CE A:LYS343 4.5 15.4 1.0 CD2 A:HIS211 4.5 23.6 1.0 NZ A:LYS343 4.5 15.4 1.0 CG A:GLN331 4.6 14.4 1.0 NH2 A:ARG84 4.6 6.6 1.0 O A:HOH973 4.6 11.0 1.0 NE A:ARG84 4.8 12.0 1.0 N A:GLN331 4.9 11.5 1.0 C A:ILE79 5.0 5.5 1.0 O A:ASP37 5.0 11.8 1.0

Calcium binding site 2 out of 2 in the Structure of the Exo-L-Galactose-6-Sulfatase BUS1_11 From Bacteroides Uniformis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Exo-L-Galactose-6-Sulfatase BUS1_11 From Bacteroides Uniformis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:24.4 occ:1.00 OD1 B:ASP37 2.3 16.7 1.0 OD2 B:ASP330 2.3 13.5 1.0 OG B:SER80 2.3 8.7 1.0 OD1 B:ASP38 2.4 10.5 1.0 NE2 B:GLN331 2.4 6.5 1.0 OD1 B:ASP330 2.7 11.3 1.0 CG B:ASP330 2.8 12.1 1.0 CB B:SER80 3.2 10.2 1.0 CD B:GLN331 3.4 14.9 1.0 CG B:ASP38 3.4 14.1 1.0 CG B:ASP37 3.4 14.1 1.0 N B:ASP38 3.5 10.5 1.0 CA B:SER80 3.6 9.5 1.0 OE1 B:GLN331 3.7 15.6 1.0 N B:SER80 4.1 7.0 1.0 C B:ASP37 4.1 8.1 1.0 OD2 B:ASP38 4.1 13.4 1.0 CA B:ASP37 4.1 11.4 1.0 CA B:ASP38 4.2 10.5 1.0 OD2 B:ASP37 4.2 14.4 1.0 CB B:ASP330 4.3 13.3 1.0 CB B:ASP38 4.3 11.0 1.0 CB B:ASP37 4.4 9.6 1.0 NZ B:LYS343 4.5 16.8 1.0 CE B:LYS343 4.5 13.0 1.0 CG B:GLN331 4.6 11.8 1.0 CD2 B:HIS211 4.6 16.6 1.0 NH2 B:ARG84 4.6 11.1 1.0 O B:HOH934 4.7 9.5 1.0 NE B:ARG84 4.7 9.1 1.0 N B:GLN331 4.9 11.5 1.0 NE2 B:HIS130 4.9 16.5 1.0 C B:ILE79 5.0 9.4 1.0 C B:SER80 5.0 8.9 1.0

C.S.Robb, J.K.Hobbs, B.Pluvinage, G.Reintjes, L.Klassen, S.Monteith, G.Giljan, C.Amundsen, C.Vickers, A.G.Hettle, R.Hills, X.Xing, T.Montina, W.F.Zandberg, D.W.Abbott, A.B.Boraston. Metabolism of A Hybrid Algal Galactan By Members of the Human Gut Microbiome. Nat.Chem.Biol. V. 18 501 2022.
ISSN: ESSN 1552-4469
PubMed: 35289327
DOI: 10.1038/S41589-022-00983-Y