Copper in PDB 9bjr: X-Ray Crystal Structure of Y168F Variant Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E

The structure of X-Ray Crystal Structure of Y168F Variant Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E, PDB code: 9bjr was solved by W.C.Thomas, R.I.Sayler, M.A.Marletta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.62 / 2.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	97.989, 119.97, 92.29, 90, 90, 90
R / Rfree (%)	17.5 / 21.3

The binding sites of Copper atom in the X-Ray Crystal Structure of Y168F Variant Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E (pdb code 9bjr). 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 Crystal Structure of Y168F Variant Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E, PDB code: 9bjr:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the X-Ray Crystal Structure of Y168F Variant Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of X-Ray Crystal Structure of Y168F Variant Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu301 b:27.5 occ:0.62 ND1 A:HIS1 1.8 40.6 1.0 NE2 A:HIS83 2.1 25.6 1.0 N A:HIS1 2.4 25.5 1.0 CE1 A:HIS1 2.7 38.0 1.0 CD2 A:HIS83 2.9 20.8 1.0 CG A:HIS1 3.0 33.2 1.0 CE1 A:HIS83 3.2 27.0 1.0 OE1 A:GLN166 3.3 28.8 1.0 CA A:HIS1 3.4 22.2 1.0 O A:HOH567 3.4 29.8 1.0 CB A:HIS1 3.5 32.4 1.0 CZ A:PHE168 3.8 18.3 1.0 O2 A:OXY302 3.8 45.1 1.0 NE2 A:HIS1 3.9 43.2 1.0 CD2 A:HIS1 4.0 36.2 1.0 CG A:HIS83 4.1 22.5 1.0 O1 A:OXY302 4.1 46.3 1.0 ND1 A:HIS83 4.2 23.6 1.0 O A:HOH474 4.2 28.5 1.0 CD A:GLN166 4.4 23.9 1.0 CE1 A:PHE168 4.6 21.4 1.0 CE2 A:PHE168 4.6 17.9 1.0 CE1 A:HIS157 4.6 28.1 1.0 NE2 A:HIS157 4.6 27.6 1.0 C A:HIS1 4.7 22.0 1.0 NE2 A:GLN166 4.9 27.2 1.0

Copper binding site 2 out of 2 in the X-Ray Crystal Structure of Y168F Variant Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of X-Ray Crystal Structure of Y168F Variant Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu301 b:31.2 occ:0.64 ND1 B:HIS1 1.8 36.1 1.0 NE2 B:HIS83 2.2 29.0 1.0 N B:HIS1 2.4 24.5 1.0 CE1 B:HIS1 2.7 38.0 1.0 CD2 B:HIS83 2.8 25.8 1.0 CG B:HIS1 3.0 34.6 1.0 O2 B:OXY302 3.1 47.4 0.9 OE1 B:GLN166 3.1 28.1 1.0 CA B:HIS1 3.4 23.1 1.0 CE1 B:HIS83 3.4 26.8 1.0 CB B:HIS1 3.5 25.5 1.0 CZ B:PHE168 3.6 19.7 1.0 O B:HOH547 3.7 33.2 1.0 NE2 B:HIS1 3.9 37.5 1.0 CD2 B:HIS1 4.0 36.3 1.0 CG B:HIS83 4.1 26.2 1.0 O1 B:OXY302 4.2 39.5 0.9 CD B:GLN166 4.2 28.3 1.0 ND1 B:HIS83 4.3 27.9 1.0 O B:HOH503 4.3 24.5 1.0 CE1 B:PHE168 4.4 25.6 1.0 CE2 B:PHE168 4.4 21.5 1.0 CE1 B:HIS157 4.5 25.6 1.0 NE2 B:HIS157 4.6 27.2 1.0 NE2 B:GLN166 4.7 32.3 1.0 C B:HIS1 4.7 19.6 1.0

R.I.Sayler, W.C.Thomas, A.J.Rose, M.A.Marletta. Electron Transfer in Polysaccharide Monooxygenase Catalysis Proc.Natl.Acad.Sci.Usa 2024.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.2411229121