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

Protein crystallography data

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

Other elements in 5uas:

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

Chlorine Binding Sites:

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 5uas

Go back to Chlorine Binding Sites List in 5uas
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 5uas

Go back to Chlorine Binding Sites List in 5uas
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

Reference:

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
Page generated: Sat Dec 12 12:30:47 2020

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