Copper in PDB 9bjt: X-Ray Crystal Structure of Y62F Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E

The structure of X-Ray Crystal Structure of Y62F Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E, PDB code: 9bjt 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)	39.51 / 3.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	107.894, 114.606, 91.417, 90, 90, 90
R / Rfree (%)	22.6 / 26.3

The binding sites of Copper atom in the X-Ray Crystal Structure of Y62F Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E (pdb code 9bjt). 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 Y62F Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E, PDB code: 9bjt:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the X-Ray Crystal Structure of Y62F 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 Y62F Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu301 b:17.5 occ:1.00 NE2 A:HIS83 2.2 25.8 1.0 ND1 A:HIS1 2.2 24.7 1.0 N A:HIS1 2.4 17.6 1.0 OH A:TYR168 2.5 29.2 1.0 CD2 A:HIS83 2.9 23.1 1.0 CE1 A:HIS1 3.2 26.4 1.0 CG A:HIS1 3.2 20.2 1.0 CE1 A:HIS83 3.3 18.2 1.0 CA A:HIS1 3.4 17.4 1.0 OE1 A:GLN166 3.4 25.2 1.0 CB A:HIS1 3.5 23.7 1.0 CZ A:TYR168 3.6 31.4 1.0 O A:HOH403 4.1 16.9 1.0 CG A:HIS83 4.1 19.5 1.0 CE2 A:TYR168 4.3 22.0 1.0 NE2 A:HIS1 4.3 24.4 1.0 O2 A:OXY303 4.3 20.3 0.7 ND1 A:HIS83 4.3 23.0 1.0 CD A:GLN166 4.3 29.1 1.0 CD2 A:HIS1 4.3 20.9 1.0 O1 A:OXY303 4.4 20.6 1.0 CE1 A:TYR168 4.6 19.1 1.0 NE2 A:GLN166 4.6 32.1 1.0 NE2 A:HIS157 4.6 22.1 1.0 C A:HIS1 4.8 17.8 1.0 CE1 A:HIS157 4.8 20.7 1.0

Copper binding site 2 out of 2 in the X-Ray Crystal Structure of Y62F 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 Y62F Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu301 b:22.7 occ:1.00 ND1 B:HIS1 2.0 20.1 1.0 NE2 B:HIS83 2.0 17.7 1.0 N B:HIS1 2.5 17.3 1.0 OH B:TYR168 2.7 33.0 1.0 CE1 B:HIS1 2.9 23.1 1.0 CD2 B:HIS83 3.0 21.7 1.0 CE1 B:HIS83 3.0 17.1 1.0 CG B:HIS1 3.0 18.5 1.0 OE1 B:GLN166 3.4 12.9 1.0 CA B:HIS1 3.4 16.7 1.0 CB B:HIS1 3.4 15.6 1.0 CZ B:TYR168 3.8 26.4 1.0 NE2 B:HIS1 4.0 34.0 1.0 CD2 B:HIS1 4.1 19.1 1.0 ND1 B:HIS83 4.1 24.2 1.0 CG B:HIS83 4.1 18.2 1.0 CD B:GLN166 4.3 17.2 1.0 O B:HOH404 4.4 12.2 1.0 NE2 B:GLN166 4.5 21.3 1.0 CE2 B:TYR168 4.5 23.5 1.0 NE2 B:HIS157 4.5 20.5 1.0 CE1 B:TYR168 4.8 21.8 1.0 C B:HIS1 4.8 16.2 1.0 CE1 B:HIS157 4.9 18.6 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