Chlorine in PDB 7rft: Domain 1 of Starch Adherence System Protein 20 (SAS20) From Ruminococcus Bromii with Maltotriose

The structure of Domain 1 of Starch Adherence System Protein 20 (SAS20) From Ruminococcus Bromii with Maltotriose, PDB code: 7rft was solved by N.Koropatkin, F.Cerqueira, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.52 / 1.53
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.837, 64.668, 64.734, 90, 102.76, 90
R / Rfree (%)	17.5 / 19.7

The structure of Domain 1 of Starch Adherence System Protein 20 (SAS20) From Ruminococcus Bromii with Maltotriose also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Domain 1 of Starch Adherence System Protein 20 (SAS20) From Ruminococcus Bromii with Maltotriose (pdb code 7rft). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Domain 1 of Starch Adherence System Protein 20 (SAS20) From Ruminococcus Bromii with Maltotriose, PDB code: 7rft:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Domain 1 of Starch Adherence System Protein 20 (SAS20) From Ruminococcus Bromii with Maltotriose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Domain 1 of Starch Adherence System Protein 20 (SAS20) From Ruminococcus Bromii with Maltotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:16.7 occ:1.00 N B:GLU185 3.1 17.6 1.0 N A:GLU185 3.2 17.4 1.0 O A:HOH499 3.2 18.4 1.0 O B:HOH443 3.2 19.0 1.0 NE2 A:HIS182 3.3 17.4 0.5 NE2 B:HIS182 3.3 17.7 0.5 CA B:THR184 3.5 17.4 1.0 CA A:THR184 3.6 17.4 1.0 C B:THR184 3.8 17.3 1.0 C A:THR184 3.8 17.3 1.0 CB B:GLU185 3.9 18.2 1.0 CB A:GLU185 3.9 18.1 1.0 CE1 A:HIS182 4.0 17.6 0.5 CB B:THR184 4.0 17.9 1.0 CE1 B:HIS182 4.0 17.5 0.5 CB A:THR184 4.1 17.5 1.0 CA B:GLU185 4.1 18.0 1.0 CA A:GLU185 4.1 17.8 1.0 CG2 B:VAL149 4.2 17.9 1.0 CG2 A:VAL149 4.2 17.4 1.0 CD2 B:HIS182 4.3 17.5 0.5 CD2 A:HIS182 4.4 17.4 0.5 CG2 B:THR184 4.5 18.0 1.0 CG2 A:THR184 4.5 17.6 1.0 O B:VAL183 4.6 17.1 1.0 O A:VAL183 4.7 18.2 1.0 N B:THR184 4.7 17.2 1.0 N A:THR184 4.8 17.4 1.0 O B:THR184 4.9 17.1 1.0 O A:THR184 5.0 17.4 1.0

Chlorine binding site 2 out of 2 in the Domain 1 of Starch Adherence System Protein 20 (SAS20) From Ruminococcus Bromii with Maltotriose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Domain 1 of Starch Adherence System Protein 20 (SAS20) From Ruminococcus Bromii with Maltotriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:36.2 occ:1.00 O A:HOH542 3.0 32.9 1.0 O B:HOH457 3.3 36.7 1.0 N B:GLU216 3.3 20.8 1.0 CB B:GLU216 3.5 22.1 1.0 CD B:PRO215 3.6 21.3 1.0 CB B:THR214 3.7 21.5 1.0 N B:PRO215 3.9 20.8 1.0 OG1 B:THR214 3.9 21.8 1.0 CA B:GLU216 4.0 21.0 1.0 CB B:PRO215 4.0 21.4 1.0 CG B:PRO215 4.2 21.4 1.0 C B:PRO215 4.2 20.7 1.0 CA B:PRO215 4.3 20.9 1.0 C B:THR214 4.5 20.6 1.0 CA B:THR214 4.6 21.0 1.0 CG2 B:THR214 4.7 21.9 1.0 OE1 B:GLU216 4.8 24.9 1.0 CD A:LYS211 4.8 29.7 1.0 CG B:GLU216 4.8 22.9 1.0 CB A:LYS211 4.9 26.5 1.0 NZ A:LYS211 4.9 32.5 1.0 CG A:LYS211 5.0 28.1 1.0

F.M.Cerqueira, A.L.Photenhauer, H.L.Doden, A.N.Brown, A.M.Abdel-Hamid, S.Morais, E.A.Bayer, Z.Wawrzak, I.Cann, J.M.Ridlon, J.B.Hopkins, N.M.Koropatkin. SAS20 Is A Highly Flexible Starch-Binding Protein in the Ruminococcus Bromii Cell-Surface Amylosome. J.Biol.Chem. V. 298 01896 2022.
ISSN: ESSN 1083-351X
PubMed: 35378131
DOI: 10.1016/J.JBC.2022.101896