Chlorine in PDB 9g17: Structure of Pslg with A Covalently- Bound Pentasaccharide

The structure of Structure of Pslg with A Covalently- Bound Pentasaccharide, PDB code: 9g17 was solved by W.A.Offen, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.60 / 1.55
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	97.692, 97.692, 119.775, 90, 90, 120
R / Rfree (%)	14.2 / 17.4

The structure of Structure of Pslg with A Covalently- Bound Pentasaccharide also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Structure of Pslg with A Covalently- Bound Pentasaccharide (pdb code 9g17). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Pslg with A Covalently- Bound Pentasaccharide, PDB code: 9g17:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Pslg with A Covalently- Bound Pentasaccharide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Pslg with A Covalently- Bound Pentasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:50.2 occ:1.00 O A:HOH1096 2.6 58.0 1.0 O A:HOH717 3.0 21.9 1.0 N A:VAL369 3.1 20.6 1.0 O A:HOH1112 3.2 47.7 1.0 CA A:PRO368 3.7 19.3 1.0 CB A:PRO368 3.8 19.2 1.0 CB A:LYS405 3.8 26.1 1.0 C A:PRO368 3.9 20.9 1.0 CB A:VAL369 3.9 23.2 1.0 CG2 A:VAL369 4.1 23.6 1.0 CA A:VAL369 4.1 21.8 1.0 CZ3 A:TRP441 4.2 22.8 1.0 CH2 A:TRP441 4.3 21.4 1.0 CD A:LYS405 4.3 49.2 1.0 CD2 A:LEU406 4.4 29.7 1.0 CG A:LEU406 4.4 27.9 1.0 O A:VAL369 4.4 22.4 1.0 CG A:LYS405 4.5 37.2 1.0 O A:HOH895 4.7 44.3 1.0 CA A:LYS405 4.8 24.7 1.0 C A:VAL369 4.8 21.9 1.0 CE3 A:TRP441 4.9 19.4 1.0 C A:LYS405 4.9 25.4 1.0 CD1 A:LEU406 5.0 24.1 1.0 CZ2 A:TRP441 5.0 19.6 1.0

Chlorine binding site 2 out of 3 in the Structure of Pslg with A Covalently- Bound Pentasaccharide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Pslg with A Covalently- Bound Pentasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:57.2 occ:1.00 O A:HOH1150 2.6 45.2 1.0 O A:HOH1080 2.8 64.5 1.0 N A:GLY170 2.9 20.2 1.0 CG2 A:ILE169 3.1 21.4 0.5 CG A:LEU168 3.4 22.3 0.5 CA A:GLY170 3.4 21.6 1.0 CD2 A:LEU168 3.6 23.5 0.5 N A:ILE169 3.9 19.3 0.5 N A:ILE169 3.9 19.8 0.5 C A:ILE169 4.0 20.1 0.5 C A:ILE169 4.0 20.5 0.5 CB A:LEU168 4.2 21.0 0.5 CD1 A:LEU168 4.2 23.3 0.5 CA A:ILE169 4.2 19.9 0.5 CB A:ILE169 4.3 19.8 0.5 O A:HOH988 4.3 21.7 1.0 CA A:ILE169 4.3 20.2 0.5 CB A:ILE169 4.3 20.4 0.5 CD1 A:LEU168 4.4 26.2 0.5 CB A:LEU168 4.4 20.6 0.5 C A:LEU168 4.4 18.5 0.5 C A:LEU168 4.5 18.7 0.5 CG A:LEU168 4.7 23.9 0.5 C A:GLY170 4.7 19.0 1.0 CA A:LEU168 4.8 18.7 0.5 CA A:LEU168 4.8 18.3 0.5 CD2 A:LEU168 4.8 24.3 0.5 O A:HOH830 4.8 43.6 1.0 CG2 A:ILE169 5.0 22.5 0.5

Chlorine binding site 3 out of 3 in the Structure of Pslg with A Covalently- Bound Pentasaccharide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Pslg with A Covalently- Bound Pentasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:20.5 occ:0.75 N A:HIS81 3.2 16.3 1.0 O A:HOH1157 3.2 39.0 1.0 CA A:LEU80 3.8 15.6 1.0 CD2 A:HIS81 3.8 17.7 1.0 CB A:ARG84 3.8 16.3 1.0 O A:HIS81 3.9 17.1 1.0 CD A:ARG84 3.9 19.5 1.0 C A:LEU80 4.0 16.1 1.0 CB A:HIS81 4.0 16.8 1.0 CA A:HIS81 4.1 15.9 1.0 CG A:HIS81 4.2 17.0 1.0 CD2 A:LEU85 4.2 24.4 1.0 CD1 A:LEU54 4.3 32.4 1.0 O A:ASP79 4.3 18.1 1.0 CG A:LEU85 4.4 22.1 1.0 CG A:ARG84 4.4 18.1 1.0 CD2 A:LEU80 4.4 18.6 1.0 C A:HIS81 4.4 16.1 1.0 CB A:LEU80 4.5 15.9 1.0 N A:LEU80 4.9 16.4 1.0 O A:HOH926 4.9 47.5 0.5

G.Ruijgrok, W.A.Offen, I.B.Pickles, D.Raju, T.Patsos, C.De Boer, T.Ofman, J.Rompa, D.Van Oord, E.J.Dodson, A.Beekers, T.Voskuilen, M.Ferrari, L.Wu, A.P.A.Janssen, J.D.C.Codee, P.L.Howell, G.J.Davies, H.S.Overkleeft. Bespoke Activity-Based Probes Reveal That the Pseudomonas Aeruginosa Endoglycosidase, Pslg, Is An Endo-Beta-Glucanase. J.Am.Chem.Soc. 2025.
ISSN: ESSN 1520-5126
PubMed: 39999423
DOI: 10.1021/JACS.4C16806