Chlorine in PDB 4mai: Structure of Aspergillus Oryzae AA11 Lytic Polysaccharide Monooxygenase with Cu(I)

The structure of Structure of Aspergillus Oryzae AA11 Lytic Polysaccharide Monooxygenase with Cu(I), PDB code: 4mai was solved by G.R.Hemsworth, B.Henrissat, P.H.Walton, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.63 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.269, 60.629, 65.176, 90.00, 90.00, 90.00
R / Rfree (%)	13.1 / 15.1

The structure of Structure of Aspergillus Oryzae AA11 Lytic Polysaccharide Monooxygenase with Cu(I) also contains other interesting chemical elements:

Copper

(Cu)

1 atom

The binding sites of Chlorine atom in the Structure of Aspergillus Oryzae AA11 Lytic Polysaccharide Monooxygenase with Cu(I) (pdb code 4mai). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Aspergillus Oryzae AA11 Lytic Polysaccharide Monooxygenase with Cu(I), PDB code: 4mai:

Chlorine binding site 1 out of 1 in the Structure of Aspergillus Oryzae AA11 Lytic Polysaccharide Monooxygenase with Cu(I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Aspergillus Oryzae AA11 Lytic Polysaccharide Monooxygenase with Cu(I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:42.2 occ:1.00 O A:HOH586 2.1 39.5 1.0 O A:HOH583 2.5 32.8 1.0 OD1 A:ASP96 3.1 16.9 1.0 O A:GLY56 3.6 20.4 1.0 CG A:ASP96 3.8 14.8 1.0 O A:HOH471 3.9 28.4 1.0 CA A:ASP96 3.9 13.9 1.0 C A:SER57 3.9 13.8 1.0 CB A:ASP96 3.9 13.9 1.0 N A:ALA58 4.0 12.6 1.0 CG1 A:VAL59 4.0 17.6 1.0 O A:SER57 4.1 14.6 1.0 CA A:ALA58 4.2 12.4 1.0 C A:GLY56 4.3 14.3 1.0 N A:GLY97 4.3 19.6 1.0 N A:VAL59 4.3 12.1 1.0 SD A:MET2 4.4 15.4 1.0 CA A:SER57 4.4 13.7 1.0 C A:ALA58 4.5 12.1 1.0 N A:SER57 4.6 12.3 1.0 C A:ASP96 4.6 15.9 1.0 O A:HOH480 4.7 29.3 1.0 O A:HOH526 4.7 83.7 1.0 CE A:MET2 4.8 17.9 1.0 OD2 A:ASP96 4.9 15.2 1.0 N A:ASP96 5.0 13.0 1.0

G.R.Hemsworth, B.Henrissat, G.J.Davies, P.H.Walton. Discovery and Characterization of A New Family of Lytic Polysaccharide Monooxygenases. Nat.Chem.Biol. V. 10 122 2014.
ISSN: ISSN 1552-4450
PubMed: 24362702
DOI: 10.1038/NCHEMBIO.1417