Chlorine in PDB 5uas: Structure of A New Family of Polysaccharide Lyase PL25-Ulvanlyase Bound to -[Glca(1-4)RHA3S]-

The structure of Structure of A New Family of Polysaccharide Lyase PL25-Ulvanlyase Bound to -[Glca(1-4)RHA3S]-, PDB code: 5uas was solved by T.S.Ulaganathan, M.Cygler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.80 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	173.620, 71.810, 109.270, 90.00, 122.44, 90.00
R / Rfree (%)	18.2 / 21.2

The structure of Structure of A New Family of Polysaccharide Lyase PL25-Ulvanlyase Bound to -[Glca(1-4)RHA3S]- also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Structure of A New Family of Polysaccharide Lyase PL25-Ulvanlyase Bound to -[Glca(1-4)RHA3S]- (pdb code 5uas). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A New Family of Polysaccharide Lyase PL25-Ulvanlyase Bound to -[Glca(1-4)RHA3S]-, PDB code: 5uas:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A New Family of Polysaccharide Lyase PL25-Ulvanlyase Bound to -[Glca(1-4)RHA3S]-


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A New Family of Polysaccharide Lyase PL25-Ulvanlyase Bound to -[Glca(1-4)RHA3S]- within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:29.0 occ:1.00 O A:HOH716 2.6 44.1 1.0 O A:HOH1035 2.9 27.0 1.0 NH2 A:ARG386 3.0 18.8 1.0 N A:LYS359 3.0 17.1 1.0 O A:HOH819 3.6 45.0 1.0 CB A:LYS359 3.6 14.9 1.0 CA A:PRO358 3.7 19.9 1.0 CG A:LYS359 3.7 15.4 1.0 CG2 A:VAL384 3.7 20.6 1.0 C A:PRO358 3.7 19.5 1.0 CA A:LYS359 3.8 16.9 1.0 NH1 A:ARG386 3.8 18.3 1.0 CZ A:ARG386 3.8 17.6 1.0 O A:GLY357 3.9 21.4 1.0 O A:LYS359 4.0 16.9 1.0 CG1 A:VAL384 4.0 16.8 1.0 CD A:LYS359 4.1 13.7 1.0 O6B A:GCD607 4.2 26.1 1.0 O A:HOH1118 4.2 19.4 1.0 NZ A:LYS359 4.3 21.2 1.0 CB A:VAL384 4.4 18.8 1.0 C A:LYS359 4.4 16.5 1.0 O A:HOH772 4.5 22.2 1.0 N A:PRO358 4.6 21.5 1.0 C A:GLY357 4.6 21.5 1.0 CB A:PRO358 4.7 21.3 1.0 CA A:VAL384 4.8 17.8 1.0 CE A:LYS359 4.9 17.1 1.0 O A:PRO358 4.9 19.2 1.0

Chlorine binding site 2 out of 2 in the Structure of A New Family of Polysaccharide Lyase PL25-Ulvanlyase Bound to -[Glca(1-4)RHA3S]-


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A New Family of Polysaccharide Lyase PL25-Ulvanlyase Bound to -[Glca(1-4)RHA3S]- within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl603 b:31.9 occ:1.00 O B:HOH751 2.6 38.9 1.0 N B:LYS359 2.9 18.6 1.0 O B:HOH1083 2.9 24.6 1.0 NH2 B:ARG386 3.0 18.9 1.0 CA B:PRO358 3.5 24.3 1.0 CB B:LYS359 3.6 18.9 1.0 C B:PRO358 3.6 23.9 1.0 CG2 B:VAL384 3.8 21.6 1.0 CA B:LYS359 3.8 17.9 1.0 CG B:LYS359 3.8 21.3 1.0 CZ B:ARG386 3.8 18.0 1.0 NH1 B:ARG386 3.8 18.6 1.0 O B:GLY357 3.9 26.6 1.0 O B:HOH811 3.9 38.4 1.0 CG1 B:VAL384 4.0 19.9 1.0 O B:LYS359 4.1 18.6 1.0 CD B:LYS359 4.2 18.8 1.0 O6A B:GCD607 4.2 27.7 1.0 NZ B:LYS359 4.3 21.7 1.0 O B:HOH1073 4.3 20.5 1.0 CB B:VAL384 4.4 19.6 1.0 C B:LYS359 4.4 20.5 1.0 O B:HOH1106 4.4 60.8 1.0 CB B:PRO358 4.5 23.5 1.0 N B:PRO358 4.5 27.0 1.0 O B:HOH724 4.5 23.8 1.0 C B:GLY357 4.6 27.9 1.0 O B:HOH1138 4.7 41.9 1.0 O B:PRO358 4.8 24.0 1.0 CA B:VAL384 4.8 17.5 1.0 CE B:LYS359 4.9 21.9 1.0

T.Ulaganathan, M.T.Boniecki, E.Foran, V.Buravenkov, N.Mizrachi, E.Banin, W.Helbert, M.Cygler. New Ulvan-Degrading Polysaccharide Lyase Family: Structure and Catalytic Mechanism Suggests Convergent Evolution of Active Site Architecture. Acs Chem. Biol. V. 12 1269 2017.
ISSN: ESSN 1554-8937
PubMed: 28290654
DOI: 10.1021/ACSCHEMBIO.7B00126