Calcium in PDB 9hh2: Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid A-I- Neocarratetraose

The structure of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid A-I- Neocarratetraose, PDB code: 9hh2 was solved by A.Chevenier, M.Czjzek, G.Michel, E.Ficko-Blean, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.63 / 1.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	95.63, 96.19, 106.65, 90, 90, 90
R / Rfree (%)	15.2 / 17.7

The structure of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid A-I- Neocarratetraose also contains other interesting chemical elements:

Chlorine	(Cl)	9 atoms
Bromine	(Br)	6 atoms

The binding sites of Calcium atom in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid A-I- Neocarratetraose (pdb code 9hh2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid A-I- Neocarratetraose, PDB code: 9hh2:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid A-I- Neocarratetraose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid A-I- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:23.8 occ:1.00 OD1 A:ASP56 2.3 19.5 1.0 OD1 A:ASP57 2.3 16.3 1.0 O3S A:OSE96 2.3 28.4 1.0 OD2 A:ASP314 2.4 18.0 1.0 OD1 A:ASN315 2.4 16.5 1.0 OD1 A:ASP314 2.6 17.1 1.0 CG A:ASP314 2.8 16.9 1.0 CG A:ASN315 3.2 17.4 1.0 CB A:OSE96 3.4 27.1 1.0 CG A:ASP57 3.4 18.0 1.0 ND2 A:ASN315 3.5 15.6 1.0 N A:ASP57 3.5 15.0 1.0 CG A:ASP56 3.5 18.0 1.0 S A:OSE96 3.6 30.5 1.0 CA A:OSE96 3.9 21.9 1.0 O2S A:OSE96 4.0 35.8 1.0 C A:ASP56 4.1 16.2 1.0 N A:OSE96 4.1 22.6 1.0 OG A:OSE96 4.1 36.5 1.0 CA A:ASP56 4.1 15.8 1.0 CA A:ASP57 4.1 13.4 1.0 OD2 A:ASP57 4.2 18.3 1.0 CB A:ASP314 4.3 17.0 1.0 CB A:ASP57 4.3 14.9 1.0 OD2 A:ASP56 4.4 18.5 1.0 NH2 A:ARG100 4.4 16.8 1.0 CB A:ASP56 4.4 17.3 1.0 CE A:LYS332 4.5 17.4 1.0 CD2 A:HIS256 4.5 16.9 1.0 NZ A:LYS332 4.6 20.9 1.0 NZ A:LYS155 4.6 18.7 1.0 CB A:ASN315 4.6 15.6 1.0 O1S A:OSE96 4.7 38.1 1.0 N A:ASN315 4.8 14.6 1.0 NE A:ARG100 4.8 15.5 1.0 C A:ASP314 4.9 16.1 1.0 C A:PHE95 5.0 18.7 1.0 O A:ASP56 5.0 17.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid A-I- Neocarratetraose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid A-I- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:25.0 occ:1.00 OD1 B:ASP56 2.3 19.7 1.0 OD1 B:ASP57 2.3 17.7 1.0 OD2 B:ASP314 2.4 18.4 1.0 O3S B:OSE96 2.4 29.0 1.0 OD1 B:ASN315 2.4 16.6 1.0 OD1 B:ASP314 2.5 18.1 1.0 CG B:ASP314 2.8 17.1 1.0 CG B:ASN315 3.2 16.6 1.0 CB B:OSE96 3.4 30.1 1.0 CG B:ASP57 3.4 19.0 1.0 ND2 B:ASN315 3.4 15.4 1.0 N B:ASP57 3.5 17.1 1.0 CG B:ASP56 3.5 19.3 1.0 S B:OSE96 3.6 31.6 1.0 CA B:OSE96 3.9 21.4 1.0 O2S B:OSE96 4.0 36.6 1.0 N B:OSE96 4.0 24.1 1.0 C B:ASP56 4.1 16.5 1.0 OG B:OSE96 4.1 36.3 1.0 CA B:ASP57 4.1 15.5 1.0 CA B:ASP56 4.1 16.9 1.0 OD2 B:ASP57 4.2 18.5 1.0 CB B:ASP314 4.3 16.5 1.0 OD2 B:ASP56 4.3 18.6 1.0 CB B:ASP57 4.3 16.8 1.0 CB B:ASP56 4.4 17.0 1.0 NH2 B:ARG100 4.4 17.1 1.0 CD2 B:HIS256 4.5 19.5 1.0 CE B:LYS332 4.5 17.0 1.0 NZ B:LYS155 4.6 22.2 1.0 CB B:ASN315 4.6 15.7 1.0 NZ B:LYS332 4.7 20.2 1.0 N B:ASN315 4.7 16.2 1.0 O1S B:OSE96 4.8 38.3 1.0 NE B:ARG100 4.9 16.7 1.0 C B:ASP314 4.9 17.2 1.0 C B:PHE95 4.9 19.2 1.0 O B:ASP56 5.0 17.1 1.0

A.Chevenier, M.Fanuel, E.Sokolova, D.Mico Latorre, D.Jouanneau, A.Jeudy, A.Prechoux, M.K.Zuhlke, J.Bartel, D.Becher, M.Czjzek, D.Ropartz, G.Michel, E.Ficko-Blean. Structure, Function and Catalytic Mechanism of the Carrageenan-Sulfatases From the Marine Bacterium Zobellia Galactanivorans Dsij T. Carbohydr Polym V. 358 23487 2025.
ISSN: ESSN 1879-1344
PubMed: 40383559
DOI: 10.1016/J.CARBPOL.2025.123487