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

Protein crystallography data

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

Other elements in 9hh2:

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:

Calcium (Ca) 2 atoms
Chlorine (Cl) 9 atoms

Bromine 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 A-I- Neocarratetraose (pdb code 9hh2). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 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 A-I- Neocarratetraose, PDB code: 9hh2:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in 9hh2

Go back to Bromine Binding Sites List in 9hh2
Bromine binding site 1 out of 6 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 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 A-I- Neocarratetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br602

b:24.2
occ:0.84
 O A:HOH855 3.2 33.9 1.0
NE A:ARG169 3.3 21.5 1.0
N A:TYR138 3.4 21.0 1.0
NZ A:LYS141 3.5 36.2 1.0
NH2 A:ARG169 3.8 22.0 1.0
CA A:ARG169 3.8 24.0 1.0
CE A:LYS141 3.8 37.8 1.0
CA A:THR137 3.9 21.1 1.0
CB A:LYS141 3.9 21.1 1.0
CZ A:ARG169 4.0 18.7 1.0
CB A:TYR138 4.0 18.6 1.0
CB A:ARG169 4.0 22.8 1.0
O A:HOH1052 4.1 47.1 1.0
CD A:ARG169 4.1 29.0 1.0
C A:ARG169 4.1 23.2 1.0
CG A:TYR138 4.1 17.9 1.0
C A:THR137 4.2 20.8 1.0
O A:ARG169 4.2 22.6 1.0
O A:HOH852 4.2 34.2 1.0
CA A:TYR138 4.3 20.4 1.0
CG2 A:THR137 4.3 23.8 1.0
CG A:LYS141 4.4 28.3 1.0
CD1 A:TYR138 4.5 18.7 1.0
O A:GLU136 4.5 26.6 1.0
O A:LYS168 4.6 25.9 1.0
O A:VAL134 4.6 24.1 1.0
CD2 A:TYR138 4.7 18.7 1.0
CG A:ARG169 4.7 29.1 1.0
CB A:THR137 4.7 26.4 1.0
CD A:LYS141 4.7 35.6 1.0
N A:THR137 4.9 21.9 1.0
O A:TYR138 4.9 20.9 1.0
N A:ARG169 5.0 22.7 1.0
N A:GLY170 5.0 22.4 1.0

Bromine binding site 2 out of 6 in 9hh2

Go back to Bromine Binding Sites List in 9hh2
Bromine binding site 2 out of 6 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 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 A-I- Neocarratetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br603

b:25.7
occ:0.72
 OH A:TYR189 3.2 23.4 1.0
O A:HOH907 3.3 33.2 1.0
N A:MET211 3.3 22.9 1.0
NE2 A:GLN190 3.4 31.4 1.0
N A:GLU220 3.5 25.6 1.0
CB A:GLU220 3.7 22.6 1.0
CE1 A:TYR189 3.8 23.9 1.0
CZ A:TYR189 4.0 21.3 1.0
CA A:PRO210 4.0 22.9 1.0
N A:ASN219 4.0 26.4 1.0
CB A:MET211 4.0 20.5 1.0
C A:PRO210 4.2 22.2 1.0
CA A:MET211 4.2 20.4 1.0
CA A:GLU220 4.2 22.8 1.0
CG A:MET211 4.3 23.3 1.0
CB A:ALA218 4.3 26.1 1.0
O A:MET211 4.4 24.6 1.0
CA A:ASN219 4.4 29.2 1.0
CB A:PRO210 4.4 26.9 1.0
C A:ASN219 4.4 29.6 1.0
CD A:GLN190 4.5 31.3 1.0
C A:MET211 4.6 25.2 1.0
CG A:GLN190 4.7 28.0 1.0
C A:ALA218 4.7 23.9 1.0
CE A:MET211 4.7 22.5 1.0
O A:GLU220 4.7 27.4 1.0
CA A:ALA218 4.9 25.6 1.0
N A:ALA218 4.9 26.0 1.0
C A:GLU220 5.0 24.3 1.0

Bromine binding site 3 out of 6 in 9hh2

Go back to Bromine Binding Sites List in 9hh2
Bromine binding site 3 out of 6 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 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 A-I- Neocarratetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br604

b:29.6
occ:0.62
 N A:ASP305 3.4 20.1 1.0
O A:HOH711 3.4 40.9 1.0
C A:LYS302 3.5 25.0 1.0
N A:PHE304 3.5 21.0 1.0
CA A:LYS302 3.6 22.4 1.0
O A:LYS302 3.7 27.5 1.0
CG A:ASP305 3.9 38.1 1.0
O A:HOH984 3.9 27.3 1.0
CB A:PHE304 3.9 21.6 1.0
CB A:ASP305 3.9 26.1 1.0
OD2 A:ASP305 4.0 39.2 1.0
N A:GLN303 4.0 21.1 1.0
CA A:PHE304 4.1 20.0 1.0
C A:PHE304 4.2 22.4 1.0
CB A:LYS302 4.3 29.0 1.0
CA A:ASP305 4.3 23.3 1.0
OD1 A:ASP305 4.3 34.8 1.0
C A:GLN303 4.3 22.5 1.0
CA A:GLN303 4.6 19.8 1.0
O A:LEU298 4.7 21.4 1.0
N A:LYS302 4.7 22.6 1.0
O A:LYS299 4.9 24.3 1.0

Bromine binding site 4 out of 6 in 9hh2

Go back to Bromine Binding Sites List in 9hh2
Bromine binding site 4 out of 6 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 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 A-I- Neocarratetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br602

b:22.4
occ:0.75
 NE B:ARG169 3.2 22.5 1.0
N B:TYR138 3.3 20.1 1.0
O B:HOH844 3.3 35.5 1.0
NZ B:LYS141 3.6 39.0 1.0
CE B:LYS141 3.7 36.5 1.0
NH2 B:ARG169 3.8 21.5 1.0
CA B:ARG169 3.8 20.5 1.0
CD B:LYS141 3.8 35.5 1.0
CA B:THR137 3.9 19.9 1.0
CZ B:ARG169 4.0 20.0 1.0
CB B:TYR138 4.0 18.4 1.0
CB B:LYS141 4.0 22.1 1.0
CD B:ARG169 4.1 26.6 1.0
CB B:ARG169 4.1 22.3 1.0
O B:HOH914 4.1 34.2 1.0
C B:ARG169 4.1 22.7 1.0
C B:THR137 4.1 20.1 1.0
CG B:TYR138 4.1 19.1 1.0
O B:ARG169 4.2 24.1 1.0
CG2 B:THR137 4.2 21.5 1.0
CA B:TYR138 4.2 19.1 1.0
CD1 B:TYR138 4.5 19.0 1.0
CG B:LYS141 4.6 26.4 1.0
O B:LYS168 4.6 28.2 1.0
O B:GLU136 4.6 25.5 1.0
O B:VAL134 4.6 27.8 1.0
CB B:THR137 4.7 23.2 1.0
CD2 B:TYR138 4.7 19.9 1.0
CG B:ARG169 4.7 26.8 1.0
O B:TYR138 4.9 19.6 1.0
N B:THR137 4.9 20.3 1.0
N B:GLY170 5.0 22.5 1.0

Bromine binding site 5 out of 6 in 9hh2

Go back to Bromine Binding Sites List in 9hh2
Bromine binding site 5 out of 6 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 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 A-I- Neocarratetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br603

b:25.7
occ:0.69
 O B:HOH814 3.2 32.5 1.0
OH B:TYR189 3.2 24.9 1.0
N B:MET211 3.3 23.1 1.0
NE2 B:GLN190 3.5 33.4 1.0
N B:GLU220 3.5 23.7 1.0
CB B:GLU220 3.8 21.8 1.0
CE1 B:TYR189 3.8 25.6 1.0
CZ B:TYR189 4.0 24.1 1.0
CB B:MET211 4.0 21.4 1.0
N B:ASN219 4.0 27.6 1.0
CA B:PRO210 4.0 25.6 1.0
CA B:MET211 4.1 24.3 1.0
C B:PRO210 4.2 22.7 1.0
CA B:GLU220 4.2 24.6 1.0
CB B:ALA218 4.3 25.5 1.0
CG B:MET211 4.3 21.1 1.0
O B:MET211 4.3 25.9 1.0
CA B:ASN219 4.4 28.9 1.0
C B:ASN219 4.4 26.2 1.0
CB B:PRO210 4.4 28.3 1.0
CD B:GLN190 4.6 35.3 1.0
C B:MET211 4.6 26.9 1.0
CE B:MET211 4.6 21.8 1.0
C B:ALA218 4.7 28.9 1.0
O B:GLU220 4.7 26.9 1.0
CG B:GLN190 4.8 30.4 1.0
CA B:ALA218 4.9 25.3 1.0
N B:ALA218 4.9 26.6 1.0
C B:GLU220 5.0 24.7 1.0

Bromine binding site 6 out of 6 in 9hh2

Go back to Bromine Binding Sites List in 9hh2
Bromine binding site 6 out of 6 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 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 A-I- Neocarratetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br604

b:30.4
occ:0.52
 N B:ASP305 3.3 20.8 1.0
C B:LYS302 3.5 25.8 1.0
N B:PHE304 3.6 20.7 1.0
CA B:LYS302 3.6 26.4 1.0
O B:LYS302 3.6 27.4 1.0
CB B:ASP305 3.7 21.0 1.0
CB B:PHE304 3.8 20.6 1.0
CA B:PHE304 4.0 21.1 1.0
O B:HOH955 4.1 26.4 1.0
N B:GLN303 4.1 22.6 1.0
CA B:ASP305 4.1 21.6 1.0
C B:PHE304 4.2 21.2 1.0
C B:GLN303 4.3 20.9 1.0
CB B:LYS302 4.3 31.2 1.0
O B:HOH1103 4.5 39.9 1.0
O B:LEU298 4.6 21.7 1.0
N B:LYS302 4.7 23.4 1.0
CA B:GLN303 4.7 22.5 1.0
O B:LYS299 4.8 27.6 1.0
CG B:LYS302 4.9 34.3 1.0
CA B:LYS299 5.0 24.7 1.0

Reference:

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
Page generated: Mon Jul 7 12:59:30 2025

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