Chlorine in PDB 7pyd: Structure of Lpmo in Complex with Cellotetraose at 7.88X10^3 Gy

The structure of Structure of Lpmo in Complex with Cellotetraose at 7.88X10^3 Gy, PDB code: 7pyd 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)	88.83 / 2.21
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	125.63, 125.63, 125.63, 90, 90, 90
R / Rfree (%)	22.5 / 28.7

The structure of Structure of Lpmo in Complex with Cellotetraose at 7.88X10^3 Gy also contains other interesting chemical elements:

Copper

(Cu)

1 atom

The binding sites of Chlorine atom in the Structure of Lpmo in Complex with Cellotetraose at 7.88X10^3 Gy (pdb code 7pyd). 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 Lpmo in Complex with Cellotetraose at 7.88X10^3 Gy, PDB code: 7pyd:

Chlorine binding site 1 out of 1 in the Structure of Lpmo in Complex with Cellotetraose at 7.88X10^3 Gy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Lpmo in Complex with Cellotetraose at 7.88X10^3 Gy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:36.7 occ:1.00 CU A:CU301 2.3 39.4 1.0 NE2 A:HIS78 2.7 46.0 1.0 ND1 A:HIC1 3.0 35.1 1.0 CE1 A:HIC1 3.1 35.7 1.0 CE1 A:HIS78 3.1 48.5 1.0 NE2 A:HIS147 3.3 59.0 1.0 OE1 A:GLN162 3.3 41.1 1.0 NE2 A:GLN162 3.5 36.2 1.0 OH A:TYR164 3.6 22.1 1.0 CD A:GLN162 3.9 41.8 1.0 CE1 A:HIS147 3.9 53.7 1.0 CD2 A:HIS78 3.9 47.9 1.0 C4 B:BGC2 4.0 46.4 1.0 C1 B:BGC3 4.0 40.2 1.0 CG A:HIC1 4.3 40.2 1.0 ND1 A:HIS78 4.3 50.4 1.0 CD2 A:HIS147 4.4 56.4 1.0 C6 B:BGC2 4.4 50.0 1.0 NE2 A:HIC1 4.4 37.8 1.0 O4 B:BGC2 4.4 40.6 1.0 N A:HIC1 4.5 38.4 1.0 O A:HOH513 4.6 26.2 1.0 C5 B:BGC2 4.7 51.6 1.0 CG A:HIS78 4.8 48.5 1.0 O5 B:BGC3 4.8 44.5 1.0 O2 B:BGC3 4.8 49.9 1.0 O3 B:BGC2 4.8 47.4 1.0 C2 B:BGC3 4.8 43.2 1.0 CZ A:TYR164 4.9 25.6 1.0 C5 B:BGC3 4.9 48.7 1.0 C3 B:BGC2 4.9 48.0 1.0 CD2 A:HIC1 5.0 42.9 1.0 C3 B:BGC3 5.0 40.6 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