Chlorine in PDB 8rzk: The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4).

The structure of The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4)., PDB code: 8rzk was solved by T.Roret, M.Czjzek, E.Ficko-Blean, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.82 / 2.29
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	162.734, 105.943, 213.664, 90, 111.23, 90
R / Rfree (%)	16.9 / 20.2

The structure of The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4). also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Chlorine atom in the The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4). (pdb code 8rzk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4)., PDB code: 8rzk:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4). within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:55.7 occ:1.00 O A:HOH1025 3.3 47.4 1.0 NE A:ARG590 3.3 34.3 1.0 CD A:ARG584 3.5 29.5 1.0 CG2 A:THR534 3.7 29.2 1.0 CD A:ARG590 3.8 31.5 1.0 CB A:THR534 3.9 31.9 1.0 CD2 A:PHE588 4.0 31.5 1.0 CG A:ARG584 4.0 36.5 1.0 CE2 A:TYR535 4.0 30.5 1.0 CD2 A:TYR535 4.3 28.8 1.0 CZ A:ARG590 4.4 36.8 1.0 CG A:ARG590 4.4 32.2 1.0 CG A:PHE588 4.5 32.5 1.0 CB A:PHE588 4.5 29.9 1.0 NH2 A:ARG590 4.6 34.9 1.0 CA A:THR534 4.6 30.3 1.0 CE2 A:PHE588 4.7 31.8 1.0 NE A:ARG584 4.9 38.9 1.0 O A:ARG584 4.9 35.4 1.0 CB A:ARG584 4.9 30.1 1.0

Chlorine binding site 2 out of 4 in the The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4). within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl704 b:57.3 occ:1.00 O B:HOH977 2.5 50.4 1.0 NE B:ARG590 3.4 33.2 1.0 O B:HOH990 3.4 44.0 1.0 CG2 B:THR534 3.6 33.2 1.0 CD B:ARG584 3.7 37.1 1.0 CD2 B:PHE588 3.9 33.5 1.0 CD B:ARG590 4.0 33.1 1.0 CB B:THR534 4.0 34.4 1.0 CE2 B:TYR535 4.0 35.2 1.0 CD2 B:TYR535 4.2 31.2 1.0 CG B:ARG584 4.3 32.3 1.0 CZ B:ARG590 4.4 35.4 1.0 NH2 B:ARG590 4.4 33.6 1.0 CG B:ARG590 4.5 34.7 1.0 CE2 B:PHE588 4.5 32.9 1.0 CA B:THR534 4.6 31.7 1.0 CG B:PHE588 4.6 33.5 1.0 CB B:PHE588 4.7 33.9 1.0 NH1 B:ARG584 4.8 35.8 1.0 NE B:ARG584 4.9 40.2 1.0

Chlorine binding site 3 out of 4 in the The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4). within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl703 b:58.5 occ:1.00 NE C:ARG590 3.3 38.6 1.0 CG2 C:THR534 3.6 32.6 1.0 CD C:ARG584 3.7 41.3 1.0 CD C:ARG590 3.8 36.0 1.0 CD2 C:PHE588 4.0 33.8 1.0 CB C:THR534 4.0 36.7 1.0 CE2 C:TYR535 4.0 32.8 1.0 CG C:ARG584 4.2 38.2 1.0 CD2 C:TYR535 4.3 32.3 1.0 CG C:ARG590 4.3 37.2 1.0 CZ C:ARG590 4.3 38.9 1.0 CB C:PHE588 4.5 37.0 1.0 CG C:PHE588 4.5 34.8 1.0 NH2 C:ARG590 4.5 38.2 1.0 CA C:THR534 4.7 34.1 1.0 CE2 C:PHE588 4.7 31.9 1.0 NE C:ARG584 5.0 40.9 1.0 CB C:ARG584 5.0 36.2 1.0

Chlorine binding site 4 out of 4 in the The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Michaelis Complex of ZGGH129 D486N From Zobellia Galactanivorans with Neo-B/K-Oligo-Carrageenan Tetrasaccharide (Beta-Kappa Neo-Oligo- Carrageenan DP4). within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl703 b:61.9 occ:1.00 O D:HOH996 3.1 43.6 1.0 O D:HOH946 3.3 47.5 1.0 NE D:ARG590 3.3 39.8 1.0 CD D:ARG584 3.7 43.0 1.0 CD2 D:PHE588 3.8 34.9 1.0 CG2 D:THR534 3.8 36.7 1.0 CD D:ARG590 3.9 42.4 1.0 CE2 D:TYR535 4.1 36.3 1.0 CB D:THR534 4.2 38.2 1.0 CG D:ARG584 4.3 36.8 1.0 CZ D:ARG590 4.3 37.1 1.0 CG D:PHE588 4.4 35.3 1.0 NH2 D:ARG590 4.4 35.6 1.0 CE2 D:PHE588 4.4 34.7 1.0 CD2 D:TYR535 4.4 33.5 1.0 CB D:PHE588 4.5 35.5 1.0 CG D:ARG590 4.5 35.9 1.0 NH1 D:ARG584 4.8 36.4 1.0 CA D:THR534 4.8 37.0 1.0 CB D:ARG584 4.9 35.1 1.0 NE D:ARG584 4.9 45.6 1.0

M.D.Wallace, I.Cuxart, T.Roret, L.Guee, A.W.Debowski, M.Czjzek, C.Rovira, K.A.Stubbs, E.Ficko-Blean. Constrained Catalytic Itinerary of A Retaining 3,6-Anhydro-D-Galactosidase, A Key Enzyme in Red Algal Cell Wall Degradation. Angew.Chem.Int.Ed.Engl. 11171 2024.
ISSN: ESSN 1521-3773
PubMed: 39022920
DOI: 10.1002/ANIE.202411171