Copper in PDB 7t5c: X-Ray Structure of Neurospora Crassa Polysaccharide Monooxygenase 9D (NCLPMO9D) at Low pH

The structure of X-Ray Structure of Neurospora Crassa Polysaccharide Monooxygenase 9D (NCLPMO9D) at Low pH, PDB code: 7t5c was solved by G.C.Schroder, F.Meilleur, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.61 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.668, 42.21, 69.715, 90, 98.91, 90
R / Rfree (%)	15.6 / 18.2

The binding sites of Copper atom in the X-Ray Structure of Neurospora Crassa Polysaccharide Monooxygenase 9D (NCLPMO9D) at Low pH (pdb code 7t5c). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the X-Ray Structure of Neurospora Crassa Polysaccharide Monooxygenase 9D (NCLPMO9D) at Low pH, PDB code: 7t5c:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the X-Ray Structure of Neurospora Crassa Polysaccharide Monooxygenase 9D (NCLPMO9D) at Low pH


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of X-Ray Structure of Neurospora Crassa Polysaccharide Monooxygenase 9D (NCLPMO9D) at Low pH within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu301 b:12.1 occ:1.00 ND1 A:HIS1 2.0 13.0 1.0 NE2 A:HIS84 2.0 13.5 1.0 N A:HIS1 2.1 9.0 1.0 O A:HOH501 2.1 22.6 1.0 O A:HOH598 2.4 22.2 1.0 OH A:TYR168 2.7 10.1 1.0 CG A:HIS1 3.0 8.4 1.0 CD2 A:HIS84 3.0 9.7 1.0 CE1 A:HIS1 3.0 11.6 1.0 CE1 A:HIS84 3.0 12.6 1.0 CA A:HIS1 3.1 10.0 1.0 CB A:HIS1 3.3 8.4 1.0 OE1 A:GLN166 3.7 12.2 1.0 CZ A:TYR168 3.7 9.1 1.0 NE2 A:HIS1 4.1 10.6 1.0 CD2 A:HIS1 4.1 8.8 1.0 ND1 A:HIS84 4.1 12.1 1.0 CG A:HIS84 4.1 10.1 1.0 O A:HOH479 4.2 13.8 1.0 O A:HOH723 4.3 22.9 1.0 CE1 A:TYR168 4.4 8.3 1.0 O A:HOH714 4.4 26.1 1.0 C A:HIS1 4.5 11.9 1.0 CE2 A:TYR168 4.6 9.6 1.0 CD A:GLN166 4.8 14.3 1.0 O A:HOH685 4.9 30.9 1.0 O A:HIS1 4.9 9.2 1.0

Copper binding site 2 out of 2 in the X-Ray Structure of Neurospora Crassa Polysaccharide Monooxygenase 9D (NCLPMO9D) at Low pH


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of X-Ray Structure of Neurospora Crassa Polysaccharide Monooxygenase 9D (NCLPMO9D) at Low pH within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu301 b:11.6 occ:1.00 ND1 B:HIS1 2.0 10.4 1.0 NE2 B:HIS84 2.0 10.4 1.0 O A:HOH411 2.1 21.9 1.0 N B:HIS1 2.1 9.4 1.0 O B:HOH609 2.4 26.2 1.0 OH B:TYR168 2.7 9.1 1.0 CD2 B:HIS84 3.0 9.3 1.0 CG B:HIS1 3.0 8.7 1.0 CE1 B:HIS1 3.0 9.8 1.0 CE1 B:HIS84 3.0 10.6 1.0 CA B:HIS1 3.1 8.4 1.0 CB B:HIS1 3.3 8.2 1.0 OE1 B:GLN166 3.6 11.8 1.0 CZ B:TYR168 3.7 8.2 1.0 O A:HOH403 4.0 36.1 1.0 NE2 B:HIS1 4.1 12.5 1.0 ND1 B:HIS84 4.1 10.7 1.0 CG B:HIS84 4.1 9.9 1.0 CD2 B:HIS1 4.1 9.7 1.0 OE2 A:GLU30 4.2 25.8 1.0 O A:HOH597 4.2 32.2 1.0 O B:HOH475 4.2 12.4 1.0 CE1 B:TYR168 4.3 6.9 1.0 C B:HIS1 4.5 8.3 1.0 CE2 B:TYR168 4.6 7.7 1.0 O B:HOH759 4.6 28.7 1.0 CD B:GLN166 4.7 9.2 1.0 O B:HIS1 4.9 9.2 1.0 O A:HOH521 4.9 35.4 1.0

G.C.Schroder, W.B.O'dell, S.P.Webb, P.K.Agarwal, F.Meilleur. Capture of Activated Dioxygen Intermediates at the Copper-Active Site of A Lytic Polysaccharide Monooxygenase. Chem Sci V. 13 13303 2022.
ISSN: ISSN 2041-6520
PubMed: 36507176
DOI: 10.1039/D2SC05031E