Copper in PDB 7pxv: LSAA9_A Chemically Reduced with Ascorbic Acid (High X-Ray Dose)

All present enzymatic activity of LSAA9_A Chemically Reduced with Ascorbic Acid (High X-Ray Dose):
1.14.99.56;

The structure of LSAA9_A Chemically Reduced with Ascorbic Acid (High X-Ray Dose), PDB code: 7pxv was solved by T.Tandrup, S.J.Muderspach, S.Banerjee, J.Ipsen, K.S.Johansen, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.38 / 1.50
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	125.41, 125.41, 125.41, 90, 90, 90
R / Rfree (%)	18.7 / 20.7

The structure of LSAA9_A Chemically Reduced with Ascorbic Acid (High X-Ray Dose) also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Copper atom in the LSAA9_A Chemically Reduced with Ascorbic Acid (High X-Ray Dose) (pdb code 7pxv). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total only one binding site of Copper was determined in the LSAA9_A Chemically Reduced with Ascorbic Acid (High X-Ray Dose), PDB code: 7pxv:

Copper binding site 1 out of 1 in the LSAA9_A Chemically Reduced with Ascorbic Acid (High X-Ray Dose)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of LSAA9_A Chemically Reduced with Ascorbic Acid (High X-Ray Dose) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu301 b:18.1 occ:0.80 ND1 A:HIC1 1.8 18.5 1.0 NE2 A:HIS78 2.0 20.3 1.0 N A:HIC1 2.3 17.4 1.0 CE1 A:HIC1 2.8 21.4 1.0 OH A:TYR164 2.8 16.4 1.0 CG A:HIC1 2.9 18.5 1.0 CD2 A:HIS78 3.0 18.7 1.0 CE1 A:HIS78 3.0 22.2 1.0 CA A:HIC1 3.2 16.1 1.0 CB A:HIC1 3.3 17.1 1.0 O A:HOH625 3.5 32.9 1.0 CZ A:TYR164 3.8 14.8 1.0 OE1 A:GLN162 3.8 18.2 1.0 NE2 A:HIC1 4.0 22.0 1.0 CD2 A:HIC1 4.0 19.1 1.0 O A:HOH574 4.0 22.3 1.0 O A:HOH535 4.1 23.0 1.0 ND1 A:HIS78 4.1 19.8 1.0 CG A:HIS78 4.1 19.8 1.0 CE1 A:TYR164 4.4 13.9 1.0 CE2 A:TYR164 4.6 13.6 1.0 C A:HIC1 4.6 15.7 1.0 CD A:GLN162 4.9 16.6 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