Chlorine in PDB 7pxl: X-Ray Structure of Lpmo at 3.6X10^5 Gy

All present enzymatic activity of X-Ray Structure of Lpmo at 3.6X10^5 Gy:
1.14.99.56;

The structure of X-Ray Structure of Lpmo at 3.6X10^5 Gy, PDB code: 7pxl was solved by T.Tandrup, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.24 / 1.35
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	125.03, 125.03, 125.03, 90, 90, 90
R / Rfree (%)	18.7 / 20

The structure of X-Ray Structure of Lpmo at 3.6X10^5 Gy also contains other interesting chemical elements:

Copper

(Cu)

1 atom

The binding sites of Chlorine atom in the X-Ray Structure of Lpmo at 3.6X10^5 Gy (pdb code 7pxl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of Lpmo at 3.6X10^5 Gy, PDB code: 7pxl:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Structure of Lpmo at 3.6X10^5 Gy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Lpmo at 3.6X10^5 Gy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:67.9 occ:1.00 ND2 A:ASN27 3.3 13.5 1.0 O A:HOH580 3.7 25.9 1.0 ND2 A:ASN29 3.9 18.4 1.0 CG A:ASN27 4.3 13.1 1.0 O A:HOH497 4.4 14.2 1.0 OD1 A:ASN27 4.5 13.7 1.0 CG A:ASN29 5.0 14.8 1.0

Chlorine binding site 2 out of 3 in the X-Ray Structure of Lpmo at 3.6X10^5 Gy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Lpmo at 3.6X10^5 Gy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:25.2 occ:1.00 O A:HOH551 3.2 30.4 1.0 N A:GLN228 3.3 17.1 1.0 O A:HOH505 3.4 24.6 1.0 CA A:ALA121 3.6 16.8 1.0 CA A:ALA227 3.8 17.6 1.0 CB A:ALA121 3.8 17.4 1.0 CB A:GLN228 4.0 17.6 1.0 O A:THR120 4.0 19.8 1.0 C A:ALA227 4.1 16.8 1.0 N A:ALA121 4.1 17.8 1.0 C A:THR120 4.2 18.9 1.0 CA A:GLN228 4.3 15.9 1.0 CB A:ALA227 4.5 18.9 1.0 CG2 A:THR120 4.5 22.4 1.0 C A:ALA121 4.8 16.4 1.0 O A:HOH687 4.9 38.1 1.0 N A:ALA227 4.9 17.9 1.0

Chlorine binding site 3 out of 3 in the X-Ray Structure of Lpmo at 3.6X10^5 Gy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Lpmo at 3.6X10^5 Gy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:22.1 occ:1.00 O A:SER175 1.8 15.2 0.2 C A:SER175 2.7 16.8 0.2 O A:HOH514 3.1 23.7 1.0 ND1 A:HIS131 3.1 24.0 1.0 CA A:SER175 3.2 15.8 0.2 N A:ASP176 3.3 13.0 0.8 CG A:ASP176 3.5 19.2 0.8 CG A:ASP176 3.6 19.7 0.2 CE1 A:HIS131 3.6 25.1 1.0 OD1 A:ASP176 3.6 16.0 0.8 OD1 A:ASP176 3.7 21.2 0.2 CA A:SER175 3.7 14.6 0.8 CB A:ASP176 3.8 20.1 0.2 OD2 A:ASP176 3.8 19.4 0.8 CB A:ASP176 3.9 17.0 0.8 OG A:SER175 3.9 14.2 0.2 CB A:ALA56 3.9 14.2 1.0 N A:ASP176 3.9 18.1 0.2 OD2 A:ASP176 4.0 22.0 0.2 C A:SER175 4.0 13.8 0.8 CB A:SER175 4.1 14.9 0.2 CA A:ASP176 4.2 16.3 0.8 N A:SER175 4.2 16.1 0.2 O A:HOH509 4.3 20.9 1.0 CG A:HIS131 4.4 20.9 1.0 CA A:ASP176 4.5 19.3 0.2 OG A:SER175 4.6 12.9 0.8 N A:SER175 4.6 15.1 0.8 CB A:SER175 4.7 13.8 0.8 O A:SER174 4.7 16.5 1.0 C A:SER174 4.9 16.5 1.0 NE2 A:HIS131 4.9 29.8 1.0 CB A:HIS131 4.9 17.2 1.0 O A:HOH625 5.0 26.3 1.0

T.Tandrup, S.J.Muderspach, S.Banerjee, G.Santoni, J.O.Ipsen, C.Hernandez-Rollan, M.H.H.Norholm, K.S.Johansen, F.Meilleur, L.Lo Leggio. Changes in Active-Site Geometry on X-Ray Photoreduction of A Lytic Polysaccharide Monooxygenase Active-Site Copper and Saccharide Binding. Iucrj V. 9 666 2022.
ISSN: ESSN 2052-2525
PubMed: 36071795
DOI: 10.1107/S2052252522007175