Chlorine in PDB 6tc4: AA13 Lytic Polysaccharide Monooxygenase From Aspergillus Oryzae Measured with Ssx

The structure of AA13 Lytic Polysaccharide Monooxygenase From Aspergillus Oryzae Measured with Ssx, PDB code: 6tc4 was solved by T.Tandrup, S.J.Muderspach, K.E.H.Frandsen, G.Santoni, J.C.N.Poulsen, L.Loleggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.21 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.720, 61.430, 73.780, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 22.3

The structure of AA13 Lytic Polysaccharide Monooxygenase From Aspergillus Oryzae Measured with Ssx also contains other interesting chemical elements:

Zinc

(Zn)

13 atoms

The binding sites of Chlorine atom in the AA13 Lytic Polysaccharide Monooxygenase From Aspergillus Oryzae Measured with Ssx (pdb code 6tc4). 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 AA13 Lytic Polysaccharide Monooxygenase From Aspergillus Oryzae Measured with Ssx, PDB code: 6tc4:

Chlorine binding site 1 out of 1 in the AA13 Lytic Polysaccharide Monooxygenase From Aspergillus Oryzae Measured with Ssx


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of AA13 Lytic Polysaccharide Monooxygenase From Aspergillus Oryzae Measured with Ssx within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl314 b:11.5 occ:1.00 ZN A:ZN310 2.2 13.4 1.0 NZ A:LYS214 3.2 9.9 1.0 OD1 A:ASP129 3.2 15.9 1.0 O A:HOH562 3.2 19.7 1.0 O A:HOH488 3.3 24.5 1.0 O A:HOH485 3.4 10.5 1.0 CB A:ASP38 3.4 15.5 1.0 OE2 A:GLU125 3.5 11.1 1.0 CA A:ASP38 3.5 14.2 1.0 CE A:LYS214 3.6 9.4 1.0 CD A:LYS214 3.6 9.0 1.0 CZ2 A:TRP160 3.6 8.1 1.0 O A:LEU37 3.7 12.6 1.0 CG A:ASP129 3.7 14.5 1.0 OD2 A:ASP129 3.7 15.1 1.0 NH1 A:ARG98 4.2 8.3 1.0 CH2 A:TRP160 4.2 8.1 1.0 C A:LEU37 4.2 13.4 1.0 N A:ASP38 4.2 13.1 1.0 O A:HOH503 4.4 12.8 1.0 C A:ASP38 4.7 13.1 1.0 CD A:GLU125 4.7 11.8 1.0 O A:ASP38 4.8 12.9 1.0 CE2 A:TRP160 4.8 8.4 1.0 CG A:LYS214 4.9 8.5 1.0 CG A:ASP38 4.9 16.0 1.0

S.J.Muderspach, T.Tandrup, K.E.H.Frandsen, G.Santoni, J.C.N.Poulsen, L.Lo Leggio. Further Structural Studies of the Lytic Polysaccharide Monooxygenase AOAA13 Belonging to the Starch-Active AA13 Family Amylase V.3(1) 41 2019.
ISSN: ESSN 2450-9728
DOI: 10.1515/AMYLASE-2019-0004