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

Protein crystallography data

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

Copper Binding Sites:

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 9bjr

Go back to Copper Binding Sites List in 9bjr
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 9bjr

Go back to Copper Binding Sites List in 9bjr
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

Reference:

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
Page generated: Mon Jul 14 09:44:39 2025

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