Bromine in PDB 9hh4: Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose

The structure of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose, PDB code: 9hh4 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)	36.57 / 1.92
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.23, 197.6, 75.02, 90, 99.79, 90
R / Rfree (%)	16.7 / 20.7

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

Calcium	(Ca)	4 atoms
Chlorine	(Cl)	21 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose (pdb code 9hh4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose, PDB code: 9hh4:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 12 in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose


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 the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Br602 b:37.9 occ:0.86 N A:TYR138 3.4 32.7 1.0 NE A:ARG169 3.4 34.9 1.0 CE A:LYS141 3.5 48.9 1.0 CD A:LYS141 3.6 45.4 1.0 NH2 A:ARG169 3.6 32.9 1.0 CA A:ARG169 3.7 33.4 1.0 O A:HOH852 3.8 48.6 1.0 CA A:THR137 4.0 32.8 1.0 CB A:TYR138 4.0 28.0 1.0 CZ A:ARG169 4.0 34.9 1.0 CB A:LYS141 4.0 34.6 1.0 CB A:ARG169 4.0 32.7 1.0 C A:ARG169 4.1 37.9 1.0 CG A:TYR138 4.1 32.0 1.0 O A:ARG169 4.1 35.1 1.0 C A:THR137 4.2 33.4 1.0 CA A:TYR138 4.3 29.2 1.0 CG2 A:THR137 4.3 35.9 1.0 CD A:ARG169 4.4 37.0 1.0 O A:GLU136 4.5 38.4 1.0 CG A:LYS141 4.5 38.1 1.0 CD1 A:TYR138 4.5 28.5 1.0 O A:LYS168 4.6 33.5 1.0 O A:VAL134 4.6 37.0 1.0 CD2 A:TYR138 4.6 28.6 1.0 CB A:THR137 4.7 36.2 1.0 CG A:ARG169 4.8 33.9 1.0 N A:GLY170 4.9 34.1 1.0 O A:TYR138 4.9 30.1 1.0 N A:THR137 4.9 35.8 1.0 N A:ARG169 4.9 38.6 1.0

Bromine binding site 2 out of 12 in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Br603 b:35.0 occ:0.72 OH A:TYR189 3.1 31.5 1.0 N A:MET211 3.2 28.6 1.0 O A:HOH781 3.3 41.1 1.0 N A:GLU220 3.5 36.5 1.0 NE2 A:GLN190 3.5 37.7 1.0 CB A:GLU220 3.8 31.1 1.0 CE1 A:TYR189 3.9 31.3 1.0 N A:ASN219 3.9 35.1 1.0 CZ A:TYR189 4.0 33.6 1.0 CB A:MET211 4.0 28.0 1.0 CA A:PRO210 4.0 30.9 1.0 CA A:MET211 4.1 29.0 1.0 C A:PRO210 4.1 26.9 1.0 CB A:ALA218 4.1 30.4 1.0 CA A:GLU220 4.2 30.7 1.0 O A:MET211 4.3 30.8 1.0 CA A:ASN219 4.3 35.2 1.0 C A:ASN219 4.4 38.4 1.0 CG A:MET211 4.4 27.0 1.0 CB A:PRO210 4.5 34.0 1.0 C A:MET211 4.6 34.2 1.0 C A:ALA218 4.6 33.9 1.0 CD A:GLN190 4.6 41.0 1.0 CE A:MET211 4.7 28.5 1.0 O A:GLU220 4.7 33.2 1.0 CA A:ALA218 4.8 33.9 1.0 N A:ALA218 4.9 36.1 1.0 CG A:GLN190 4.9 38.5 1.0 C A:GLU220 5.0 28.5 1.0

Bromine binding site 3 out of 12 in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Br604 b:66.3 occ:1.00 NE2 A:HIS321 3.6 32.5 1.0 ND2 A:ASN318 3.7 24.3 1.0 ND2 A:ASN320 3.7 31.0 1.0 O A:HOH1071 3.8 31.9 1.0 O A:HOH1034 4.0 45.9 1.0 O B:HOH910 4.0 36.9 1.0 CD2 A:HIS321 4.0 28.6 1.0 O A:HOH1052 4.2 49.5 1.0 NH1 B:ARG436 4.3 26.5 1.0 CB A:ASN320 4.4 26.1 1.0 OD1 A:ASN318 4.4 24.4 1.0 O B:HOH907 4.5 46.2 1.0 CG A:ASN320 4.5 30.3 1.0 CG A:ASN318 4.5 25.8 1.0 NH2 B:ARG436 4.7 26.0 1.0 CE1 A:HIS321 4.8 36.5 1.0 O A:HOH789 4.9 25.5 0.4 O B:LYS447 4.9 28.1 1.0 O A:HOH1008 4.9 38.1 1.0 O A:HOH1010 5.0 52.7 1.0

Bromine binding site 4 out of 12 in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ B:Br602 b:73.4 occ:1.00 NE2 B:HIS321 3.5 31.2 1.0 ND2 B:ASN318 3.6 25.4 1.0 ND2 B:ASN320 3.6 31.5 1.0 O A:HOH994 3.7 36.5 1.0 O B:HOH1061 3.8 35.4 1.0 CD2 B:HIS321 4.0 29.1 1.0 CB B:ASN320 4.2 25.5 1.0 O A:HOH987 4.3 34.6 0.5 OD1 B:ASN318 4.3 25.8 1.0 CG B:ASN320 4.4 28.4 1.0 CG B:ASN318 4.4 25.4 1.0 NH1 A:ARG436 4.4 29.5 1.0 NH2 A:ARG436 4.6 22.5 1.0 CE1 B:HIS321 4.7 33.1 1.0 O A:LYS447 4.8 25.5 1.0 O B:HOH1022 4.8 34.6 1.0

Bromine binding site 5 out of 12 in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ B:Br603 b:34.4 occ:0.78 NE B:ARG169 3.3 37.9 1.0 NZ B:LYS141 3.4 42.9 1.0 O B:HOH719 3.4 44.0 1.0 N B:TYR138 3.4 32.0 1.0 CE B:LYS141 3.5 41.9 1.0 O B:ARG169 3.8 30.6 1.0 CA B:ARG169 3.8 33.5 1.0 CD B:ARG169 3.8 40.9 1.0 NH2 B:ARG169 3.9 31.3 1.0 CA B:THR137 3.9 30.1 1.0 CD B:LYS141 3.9 42.9 1.0 C B:ARG169 4.0 34.0 1.0 CZ B:ARG169 4.0 30.9 1.0 CB B:LYS141 4.0 35.5 1.0 CG2 B:THR137 4.1 32.5 1.0 CB B:TYR138 4.2 28.1 1.0 C B:THR137 4.2 32.5 1.0 CB B:ARG169 4.2 35.0 1.0 CG B:TYR138 4.3 28.8 1.0 CA B:TYR138 4.4 31.8 1.0 O B:GLU136 4.5 35.6 1.0 CB B:THR137 4.6 36.9 1.0 CD1 B:TYR138 4.6 29.3 1.0 CG B:LYS141 4.6 39.6 1.0 O B:LYS168 4.6 38.8 1.0 O B:VAL134 4.6 36.5 1.0 CG B:ARG169 4.6 36.5 1.0 CD2 B:TYR138 4.8 26.4 1.0 N B:THR137 4.9 32.8 1.0 N B:GLY170 4.9 33.8 1.0 O B:TYR138 4.9 33.7 1.0

Bromine binding site 6 out of 12 in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ B:Br604 b:32.9 occ:0.79 OH B:TYR189 3.2 27.7 1.0 N B:MET211 3.3 28.0 1.0 O B:HOH890 3.3 35.6 1.0 N B:GLU220 3.4 30.0 1.0 NE2 B:GLN190 3.4 27.7 1.0 CB B:MET211 3.5 32.5 1.0 CB B:GLU220 3.7 29.1 1.0 CE1 B:TYR189 3.9 26.4 1.0 CA B:MET211 4.0 29.5 1.0 CZ B:TYR189 4.0 30.1 1.0 N B:ASN219 4.0 30.9 1.0 CA B:PRO210 4.1 30.7 1.0 CA B:GLU220 4.1 27.6 1.0 CB B:ALA218 4.2 29.9 1.0 C B:PRO210 4.2 26.4 1.0 O B:MET211 4.3 31.9 1.0 CG B:MET211 4.3 28.8 1.0 CA B:ASN219 4.4 29.9 1.0 C B:ASN219 4.4 34.6 1.0 CD B:GLN190 4.5 33.2 1.0 C B:MET211 4.5 31.8 1.0 C B:ALA218 4.6 32.5 1.0 CG B:GLN190 4.7 29.8 1.0 CB B:PRO210 4.7 31.8 1.0 O B:GLU220 4.7 29.4 1.0 CE B:MET211 4.7 31.0 1.0 CA B:ALA218 4.8 31.5 1.0 N B:ALA218 4.9 33.4 1.0 C B:GLU220 4.9 29.4 1.0

Bromine binding site 7 out of 12 in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ C:Br602 b:36.3 occ:0.78 NE C:ARG169 3.3 36.4 1.0 O C:HOH808 3.3 45.5 1.0 N C:TYR138 3.4 32.9 1.0 NZ C:LYS141 3.4 46.8 1.0 CD C:ARG169 3.6 40.4 1.0 CD C:LYS141 3.6 48.3 1.0 CE C:LYS141 3.8 47.2 1.0 CA C:ARG169 3.8 35.6 1.0 NH2 C:ARG169 3.8 31.8 1.0 CA C:THR137 3.9 37.2 1.0 CZ C:ARG169 4.0 34.1 1.0 CB C:LYS141 4.0 38.7 1.0 CB C:TYR138 4.1 32.8 1.0 CB C:ARG169 4.1 37.4 1.0 O C:ARG169 4.1 35.3 1.0 C C:ARG169 4.1 38.8 1.0 C C:THR137 4.2 36.1 1.0 CG C:TYR138 4.2 31.2 1.0 CG2 C:THR137 4.3 37.6 1.0 CA C:TYR138 4.3 37.5 1.0 O C:GLU136 4.4 44.3 1.0 CD1 C:TYR138 4.4 29.9 1.0 CG C:ARG169 4.5 39.0 1.0 CG C:LYS141 4.5 42.1 1.0 O C:VAL134 4.6 40.2 1.0 O C:LYS168 4.7 35.7 1.0 CB C:THR137 4.7 40.5 1.0 CD2 C:TYR138 4.7 30.3 1.0 N C:THR137 4.9 37.5 1.0 O C:TYR138 4.9 34.6 1.0 C C:GLU136 5.0 38.3 1.0 N C:GLY170 5.0 33.6 1.0

Bromine binding site 8 out of 12 in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ C:Br603 b:81.1 occ:1.00 O C:HOH847 3.9 45.6 1.0 O C:HOH924 4.0 45.0 1.0 NH1 C:ARG436 4.3 33.3 1.0 NH2 C:ARG436 4.6 33.5 1.0 O C:LYS447 4.8 35.6 1.0 CZ C:ARG436 4.9 37.4 1.0

Bromine binding site 9 out of 12 in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ C:Br604 b:35.7 occ:0.69 OH C:TYR189 3.2 33.2 1.0 N C:MET211 3.3 29.1 1.0 NE2 C:GLN190 3.3 34.1 1.0 O C:HOH775 3.4 38.0 1.0 N C:GLU220 3.5 36.1 1.0 CB C:GLU220 3.8 36.3 1.0 CE1 C:TYR189 3.9 29.8 1.0 N C:ASN219 4.0 36.6 1.0 CZ C:TYR189 4.0 32.9 1.0 CB C:MET211 4.0 27.1 1.0 CA C:PRO210 4.0 30.9 1.0 CA C:MET211 4.1 26.3 1.0 C C:PRO210 4.1 30.7 1.0 CB C:ALA218 4.2 33.0 1.0 CA C:GLU220 4.3 34.4 1.0 O C:MET211 4.4 31.4 1.0 CD C:GLN190 4.4 37.4 1.0 CA C:ASN219 4.4 37.8 1.0 CB C:PRO210 4.4 33.3 1.0 CG C:MET211 4.5 26.8 1.0 C C:ASN219 4.5 38.2 1.0 CG C:GLN190 4.6 33.9 1.0 C C:MET211 4.6 30.7 1.0 C C:ALA218 4.7 36.4 1.0 CE C:MET211 4.7 28.4 1.0 O C:GLU220 4.8 33.4 1.0 CA C:ALA218 4.8 32.7 1.0 N C:ALA218 4.9 35.5 1.0

Bromine binding site 10 out of 12 in the Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of the Family S1_19 Carrageenan Sulfatase Zgcgsa From Zobellia Galactanivorans in Complex with Hybrid B-K- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ D:Br602 b:37.2 occ:0.81 N D:TYR138 3.2 35.2 1.0 O D:HOH826 3.5 45.5 1.0 NZ D:LYS141 3.5 48.3 1.0 CD D:ARG169 3.5 43.7 1.0 CE D:LYS141 3.5 47.6 1.0 NH1 D:ARG169 3.6 39.7 1.0 CA D:ARG169 3.8 36.2 1.0 CD D:LYS141 3.9 49.0 1.0 CA D:THR137 3.9 39.1 1.0 CB D:TYR138 3.9 34.5 1.0 CB D:LYS141 4.0 36.9 1.0 C D:THR137 4.1 37.0 1.0 O D:ARG169 4.1 36.6 1.0 C D:ARG169 4.1 38.6 1.0 CA D:TYR138 4.1 35.9 1.0 CG D:TYR138 4.1 37.1 1.0 CB D:ARG169 4.2 39.8 1.0 CG2 D:THR137 4.2 41.9 1.0 NE D:ARG169 4.4 47.7 1.0 CD1 D:TYR138 4.4 33.7 1.0 CZ D:ARG169 4.5 37.5 1.0 CG D:ARG169 4.5 39.2 1.0 O D:GLU136 4.5 41.5 1.0 CG D:LYS141 4.5 45.7 1.0 CB D:THR137 4.6 39.7 1.0 O D:LYS168 4.6 35.7 1.0 O D:VAL134 4.7 40.6 1.0 CD2 D:TYR138 4.8 35.3 1.0 O D:TYR138 4.8 41.1 1.0 N D:THR137 4.9 39.1 1.0 N D:GLY170 5.0 33.5 1.0 C D:TYR138 5.0 38.6 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