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Bromine in PDB 9hh3: Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans

Protein crystallography data

The structure of Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans, PDB code: 9hh3 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) 49.36 / 2.26
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.8, 199.15, 75.35, 90, 99.33, 90
R / Rfree (%) 19.5 / 24.6

Other elements in 9hh3:

The structure of Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans also contains other interesting chemical elements:

Calcium (Ca) 4 atoms
Chlorine (Cl) 25 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans (pdb code 9hh3). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 10 binding sites of Bromine where determined in the Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans, PDB code: 9hh3:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 10 in 9hh3

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Bromine binding site 1 out of 10 in the Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br601

b:44.9
occ:0.87
 O A:HOH717 3.2 41.7 1.0
N A:MET211 3.2 39.5 1.0
OH A:TYR189 3.3 41.4 1.0
N A:GLU220 3.4 46.2 1.0
NE2 A:GLN190 3.6 37.9 1.0
CB A:GLU220 3.6 40.5 1.0
CE1 A:TYR189 3.9 37.4 1.0
CB A:MET211 4.0 43.3 1.0
N A:ASN219 4.1 47.0 1.0
CA A:MET211 4.1 43.7 1.0
CZ A:TYR189 4.1 42.7 1.0
CA A:PRO210 4.1 38.6 1.0
CA A:GLU220 4.1 40.8 1.0
C A:PRO210 4.1 41.9 1.0
O A:MET211 4.2 40.5 1.0
CG A:MET211 4.3 39.2 1.0
CB A:ALA218 4.3 45.1 1.0
CA A:ASN219 4.4 45.2 1.0
C A:ASN219 4.4 48.2 1.0
C A:MET211 4.5 42.0 1.0
CB A:PRO210 4.6 37.3 1.0
CD A:GLN190 4.7 38.8 1.0
C A:ALA218 4.7 45.9 1.0
O A:GLU220 4.7 41.6 1.0
CE A:MET211 4.7 41.1 1.0
CG A:GLN190 4.8 38.2 1.0
CA A:ALA218 4.9 45.2 1.0
C A:GLU220 4.9 44.6 1.0
N A:ALA218 5.0 46.2 1.0
CG A:GLU220 5.0 40.4 1.0

Bromine binding site 2 out of 10 in 9hh3

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Bromine binding site 2 out of 10 in the Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br602

b:48.2
occ:0.80
 NE A:ARG169 3.4 39.7 1.0
N A:TYR138 3.4 50.5 1.0
NH2 A:ARG169 3.6 42.8 1.0
CD A:LYS141 3.8 53.2 1.0
CA A:THR137 3.9 50.1 1.0
CA A:ARG169 3.9 43.6 1.0
CZ A:ARG169 3.9 43.8 1.0
CB A:LYS141 4.0 47.5 1.0
CB A:TYR138 4.1 46.2 1.0
O A:ARG169 4.1 43.4 1.0
CG2 A:THR137 4.1 42.4 1.0
C A:ARG169 4.1 51.0 1.0
C A:THR137 4.1 45.4 1.0
CB A:ARG169 4.2 41.9 1.0
CG A:TYR138 4.2 45.0 1.0
CA A:TYR138 4.3 43.4 1.0
CD A:ARG169 4.4 44.5 1.0
O A:GLU136 4.4 57.2 1.0
CD1 A:TYR138 4.5 42.5 1.0
CG A:LYS141 4.6 48.8 1.0
CB A:THR137 4.6 53.8 1.0
O A:VAL134 4.6 52.7 1.0
O A:LYS168 4.7 50.5 1.0
CE A:LYS141 4.7 63.5 1.0
CD2 A:TYR138 4.7 45.9 1.0
N A:THR137 4.9 50.1 1.0
O A:TYR138 4.9 48.1 1.0
CG A:ARG169 4.9 46.2 1.0
N A:GLY170 5.0 45.6 1.0
C A:GLU136 5.0 56.9 1.0

Bromine binding site 3 out of 10 in 9hh3

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Bromine binding site 3 out of 10 in the Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br601

b:51.5
occ:0.79
 OH B:TYR189 3.2 43.8 1.0
O B:HOH705 3.3 50.8 1.0
N B:MET211 3.4 48.8 1.0
N B:GLU220 3.4 49.5 1.0
NE2 B:GLN190 3.5 51.4 1.0
CB B:GLU220 3.8 53.5 1.0
CE1 B:TYR189 3.9 42.7 1.0
N B:ASN219 4.0 45.3 1.0
CZ B:TYR189 4.0 48.1 1.0
CB B:MET211 4.0 47.2 1.0
CA B:PRO210 4.1 54.5 1.0
CA B:GLU220 4.2 51.2 1.0
CA B:MET211 4.2 48.9 1.0
C B:PRO210 4.3 49.0 1.0
CA B:ASN219 4.3 45.4 1.0
CG B:MET211 4.3 47.5 1.0
C B:ASN219 4.4 49.5 1.0
CB B:ALA218 4.4 52.8 1.0
O B:MET211 4.4 56.6 1.0
O B:GLU220 4.6 44.3 1.0
CD B:GLN190 4.6 49.0 1.0
CB B:PRO210 4.6 44.5 1.0
C B:ALA218 4.7 51.5 1.0
C B:MET211 4.7 53.9 1.0
CG B:GLN190 4.8 49.2 1.0
C B:GLU220 4.9 50.1 1.0
CE B:MET211 4.9 35.6 1.0
CA B:ALA218 5.0 48.9 1.0

Bromine binding site 4 out of 10 in 9hh3

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Bromine binding site 4 out of 10 in the Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br602

b:49.4
occ:0.88
 NE B:ARG169 3.2 47.7 1.0
N B:TYR138 3.4 48.8 1.0
NH2 B:ARG169 3.6 41.6 1.0
CD B:LYS141 3.7 60.6 1.0
CA B:ARG169 3.8 43.4 1.0
CZ B:ARG169 3.9 47.6 1.0
CA B:THR137 3.9 52.3 1.0
CB B:LYS141 4.0 47.2 1.0
CE B:LYS141 4.0 60.9 1.0
CB B:TYR138 4.0 44.3 1.0
CB B:ARG169 4.0 45.4 1.0
C B:ARG169 4.1 45.3 1.0
CG B:TYR138 4.1 44.4 1.0
O B:ARG169 4.1 49.6 1.0
C B:THR137 4.2 48.3 1.0
CD B:ARG169 4.2 48.6 1.0
CG2 B:THR137 4.2 37.5 1.0
CA B:TYR138 4.3 46.9 1.0
O B:GLU136 4.3 58.4 1.0
CD1 B:TYR138 4.4 43.7 1.0
CG B:LYS141 4.5 50.0 1.0
CD2 B:TYR138 4.6 42.1 1.0
O B:VAL134 4.7 55.4 1.0
CB B:THR137 4.7 41.4 1.0
O B:LYS168 4.7 46.1 1.0
CG B:ARG169 4.7 46.6 1.0
N B:THR137 4.9 47.3 1.0
N B:GLY170 4.9 42.0 1.0
O B:TYR138 4.9 45.4 1.0
C B:GLU136 5.0 50.2 1.0

Bromine binding site 5 out of 10 in 9hh3

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Bromine binding site 5 out of 10 in the Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br603

b:60.8
occ:0.82
 N B:ASP305 3.4 47.0 1.0
N B:PHE304 3.6 47.7 1.0
C B:LYS302 3.6 54.8 1.0
CA B:LYS302 3.6 50.1 1.0
O B:HOH775 3.7 55.7 1.0
O B:HOH884 3.7 70.4 1.0
O B:LYS302 3.8 46.8 1.0
CB B:ASP305 3.8 53.1 1.0
CB B:PHE304 3.9 51.0 1.0
CA B:PHE304 4.1 49.6 1.0
N B:GLN303 4.2 54.8 1.0
C B:PHE304 4.2 52.5 1.0
CA B:ASP305 4.2 55.6 1.0
CB B:LYS302 4.3 47.6 1.0
C B:GLN303 4.5 48.2 1.0
N B:LYS302 4.8 49.4 1.0
O B:LEU298 4.8 46.7 1.0
CA B:GLN303 4.8 49.4 1.0
O B:LYS299 4.8 47.8 1.0

Bromine binding site 6 out of 10 in 9hh3

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Bromine binding site 6 out of 10 in the Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br604

b:96.6
occ:1.00
 ND2 B:ASN320 3.5 42.5 1.0
CE1 B:HIS321 3.6 44.9 1.0
ND2 B:ASN318 3.6 33.0 1.0
CB B:ASN320 3.9 34.4 1.0
NH1 A:ARG436 4.0 45.5 1.0
CG B:ASN320 4.0 44.7 1.0
OD1 B:ASN318 4.1 39.1 1.0
ND1 B:HIS321 4.2 48.7 1.0
O A:HOH840 4.3 40.7 1.0
CG B:ASN318 4.3 40.4 1.0
NH2 A:ARG436 4.4 44.5 1.0
NE2 B:HIS321 4.5 48.8 1.0
CZ A:ARG436 4.7 49.0 1.0
O A:LYS447 4.8 43.8 1.0

Bromine binding site 7 out of 10 in 9hh3

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Bromine binding site 7 out of 10 in the Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br601

b:73.4
occ:0.85
 N C:TYR138 3.4 68.6 1.0
NE C:ARG169 3.5 71.4 1.0
NH2 C:ARG169 3.6 74.0 1.0
CA C:ARG169 3.9 70.9 1.0
CB C:LYS141 3.9 59.5 1.0
CA C:THR137 4.0 73.8 1.0
CZ C:ARG169 4.0 71.5 1.0
CB C:ARG169 4.1 68.7 1.0
CB C:TYR138 4.1 63.6 1.0
CG C:TYR138 4.2 64.0 1.0
C C:ARG169 4.2 70.9 1.0
C C:THR137 4.2 71.4 1.0
O C:ARG169 4.3 67.1 1.0
O C:GLU136 4.3 76.3 1.0
CG2 C:THR137 4.3 70.5 1.0
CA C:TYR138 4.4 65.2 1.0
CD1 C:TYR138 4.4 66.3 1.0
O C:HOH733 4.5 75.1 1.0
CG C:ARG169 4.6 70.5 1.0
CD C:ARG169 4.6 72.3 1.0
O C:LYS168 4.6 70.3 1.0
O C:VAL134 4.7 73.6 1.0
CB C:THR137 4.8 72.6 1.0
CD2 C:TYR138 4.8 65.2 1.0
N C:THR137 4.9 71.7 1.0
C C:GLU136 5.0 72.1 1.0
O C:TYR138 5.0 70.5 1.0

Bromine binding site 8 out of 10 in 9hh3

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Bromine binding site 8 out of 10 in the Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br602

b:71.9
occ:0.83
 N C:MET211 3.2 73.2 1.0
OH C:TYR189 3.4 65.4 1.0
NE2 C:GLN190 3.5 74.5 1.0
N C:GLU220 3.6 71.6 1.0
CA C:PRO210 3.9 70.9 1.0
CB C:MET211 3.9 64.5 1.0
CB C:GLU220 3.9 66.5 1.0
CE1 C:TYR189 3.9 72.9 1.0
C C:PRO210 4.0 72.0 1.0
CA C:MET211 4.0 68.4 1.0
CZ C:TYR189 4.1 70.0 1.0
N C:ASN219 4.1 71.4 1.0
O C:MET211 4.2 72.7 1.0
CG C:MET211 4.3 70.6 1.0
CB C:PRO210 4.3 67.3 1.0
CA C:GLU220 4.3 67.5 1.0
CA C:ASN219 4.4 73.4 1.0
C C:MET211 4.5 72.7 1.0
C C:ASN219 4.5 67.5 1.0
CD C:GLN190 4.6 71.5 1.0
CB C:ALA218 4.6 76.2 1.0
O C:GLU220 4.7 69.6 1.0
CE C:MET211 4.7 69.8 1.0
CG C:GLN190 4.7 75.4 1.0
C C:ALA218 4.8 70.1 1.0
C C:GLU220 5.0 66.1 1.0

Bromine binding site 9 out of 10 in 9hh3

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Bromine binding site 9 out of 10 in the Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br601

b:72.3
occ:1.00
 OH D:TYR189 3.3 60.3 1.0
N D:GLU220 3.4 66.2 1.0
N D:MET211 3.4 64.0 1.0
NE2 D:GLN190 3.5 61.8 1.0
CB D:GLU220 3.7 64.9 1.0
CE1 D:TYR189 4.0 61.1 1.0
CB D:MET211 4.1 65.2 1.0
CA D:PRO210 4.1 63.7 1.0
N D:ASN219 4.1 67.5 1.0
CA D:GLU220 4.1 67.3 1.0
CZ D:TYR189 4.1 62.5 1.0
CA D:MET211 4.2 65.6 1.0
C D:PRO210 4.2 64.7 1.0
O D:PRO217 4.2 84.3 1.0
CA D:ASN219 4.3 66.4 1.0
C D:ASN219 4.3 66.5 1.0
CG D:MET211 4.3 59.7 1.0
CB D:ALA218 4.4 60.7 1.0
CB D:PRO210 4.4 65.9 1.0
O D:MET211 4.5 70.7 1.0
CE D:MET211 4.6 61.6 1.0
CD D:GLN190 4.6 58.3 1.0
C D:MET211 4.7 69.3 1.0
O D:GLU220 4.7 69.2 1.0
CG D:GLN190 4.8 61.2 1.0
C D:ALA218 4.8 70.4 1.0
C D:GLU220 4.9 72.1 1.0

Bromine binding site 10 out of 10 in 9hh3

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Bromine binding site 10 out of 10 in the Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structure of the Apo Zgcgsa Carrageenan-Sulfatase (S1_19) From the Marine Bacterium Zobellia Galactanivorans within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br602

b:70.6
occ:0.85
 NE D:ARG169 3.3 64.5 1.0
N D:TYR138 3.3 67.7 1.0
NH2 D:ARG169 3.4 69.3 1.0
CA D:ARG169 3.8 67.8 1.0
CZ D:ARG169 3.8 67.2 1.0
CB D:TYR138 3.9 62.3 1.0
CB D:ARG169 3.9 59.0 1.0
CA D:THR137 4.0 70.9 1.0
CB D:LYS141 4.0 74.5 1.0
CG D:TYR138 4.1 62.2 1.0
C D:ARG169 4.2 66.0 1.0
C D:THR137 4.2 68.5 1.0
O D:ARG169 4.2 64.5 1.0
CA D:TYR138 4.2 67.1 1.0
CD1 D:TYR138 4.3 62.0 1.0
CG2 D:THR137 4.3 59.7 1.0
O D:GLU136 4.4 74.3 1.0
CD D:ARG169 4.4 71.5 1.0
CG D:ARG169 4.4 68.2 1.0
CD2 D:TYR138 4.6 61.1 1.0
O D:LYS168 4.6 75.0 1.0
O D:VAL134 4.7 67.4 1.0
CB D:THR137 4.8 70.4 1.0
O D:TYR138 4.8 64.4 1.0
N D:ARG169 5.0 65.6 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 12:59:59 2025

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