Copper in PDB 9bjs: X-Ray Crystal Structure of Y62W Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E

The structure of X-Ray Crystal Structure of Y62W Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E, PDB code: 9bjs 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)	43.79 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	99.692, 122.395, 91.699, 90, 90, 90
R / Rfree (%)	19.9 / 23.3

The binding sites of Copper atom in the X-Ray Crystal Structure of Y62W Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E (pdb code 9bjs). 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 Y62W Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E, PDB code: 9bjs:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the X-Ray Crystal Structure of Y62W 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 Y62W Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu301 b:17.4 occ:0.94 ND1 A:HIS1 1.9 14.9 1.0 NE2 A:HIS83 2.1 15.2 1.0 N A:HIS1 2.4 16.3 1.0 CE1 A:HIS1 2.9 23.6 1.0 CG A:HIS1 2.9 16.6 1.0 CE1 A:HIS83 3.0 11.0 1.0 OH A:TYR168 3.0 14.1 1.0 CD2 A:HIS83 3.1 13.2 1.0 O A:HOH610 3.2 27.7 1.0 CB A:HIS1 3.3 14.9 1.0 O2 A:OXY305 3.3 28.5 1.0 CA A:HIS1 3.3 15.4 1.0 OE1 A:GLN166 3.6 16.5 1.0 NE2 A:HIS1 4.0 20.9 1.0 CD2 A:HIS1 4.0 21.0 1.0 CZ A:TYR168 4.0 14.5 1.0 O A:HOH491 4.1 15.9 1.0 ND1 A:HIS83 4.1 15.8 1.0 CG A:HIS83 4.2 15.0 1.0 O1 A:OXY305 4.4 30.9 1.0 C A:HIS1 4.6 12.6 1.0 CD A:GLN166 4.7 19.1 1.0 NE2 A:HIS157 4.7 15.9 1.0 CE1 A:HIS157 4.7 18.9 1.0 CE2 A:TYR168 4.8 13.8 1.0 CE1 A:TYR168 4.8 13.5 1.0

Copper binding site 2 out of 2 in the X-Ray Crystal Structure of Y62W 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 Y62W Thermothelomyces Thermophilus Polysaccharide Monooxygenase 9E within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu301 b:18.7 occ:0.94 ND1 B:HIS1 2.1 20.6 1.0 NE2 B:HIS83 2.3 17.6 1.0 N B:HIS1 2.4 13.6 1.0 OH B:TYR168 3.0 16.5 1.0 CG B:HIS1 3.0 22.1 1.0 CD2 B:HIS83 3.1 19.8 1.0 CE1 B:HIS1 3.1 19.5 1.0 CA B:HIS1 3.3 19.6 1.0 O B:HOH580 3.3 29.1 1.0 CB B:HIS1 3.3 20.8 1.0 CE1 B:HIS83 3.4 16.7 1.0 OE1 B:GLN166 3.6 20.2 1.0 O2 B:OXY302 3.8 41.1 1.0 O1 B:OXY302 3.9 34.2 1.0 CZ B:TYR168 4.0 17.8 1.0 O B:HOH482 4.2 18.4 1.0 CD2 B:HIS1 4.2 20.3 1.0 NE2 B:HIS1 4.2 23.2 1.0 CG B:HIS83 4.3 16.5 1.0 ND1 B:HIS83 4.4 22.2 1.0 C B:HIS1 4.6 12.7 1.0 CD B:GLN166 4.7 20.7 1.0 NE2 B:HIS157 4.7 22.2 1.0 CE1 B:HIS157 4.8 17.0 1.0 CE2 B:TYR168 4.8 13.3 1.0 CE1 B:TYR168 4.8 12.4 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