Copper in PDB 5iju: Structure of An AA10 Lytic Polysaccharide Monooxygenase From Bacillus Amyloliquefaciens with Cu(II) Bound

The structure of Structure of An AA10 Lytic Polysaccharide Monooxygenase From Bacillus Amyloliquefaciens with Cu(II) Bound, PDB code: 5iju was solved by R.C.Gregory, G.R.Hemsworth, J.P.Turkenburg, S.J.Hart, P.H.Walton, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.11 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.779, 73.482, 75.457, 90.00, 100.40, 90.00
R / Rfree (%)	22.3 / 26.4

The structure of Structure of An AA10 Lytic Polysaccharide Monooxygenase From Bacillus Amyloliquefaciens with Cu(II) Bound also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Copper atom in the Structure of An AA10 Lytic Polysaccharide Monooxygenase From Bacillus Amyloliquefaciens with Cu(II) Bound (pdb code 5iju). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Structure of An AA10 Lytic Polysaccharide Monooxygenase From Bacillus Amyloliquefaciens with Cu(II) Bound, PDB code: 5iju:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Structure of An AA10 Lytic Polysaccharide Monooxygenase From Bacillus Amyloliquefaciens with Cu(II) Bound


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Structure of An AA10 Lytic Polysaccharide Monooxygenase From Bacillus Amyloliquefaciens with Cu(II) Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu301 b:11.3 occ:1.00 O A:HOH412 2.0 23.9 1.0 ND1 A:HIS28 2.0 8.8 1.0 NE2 A:HIS125 2.1 14.0 1.0 O A:HOH487 2.2 21.8 1.0 N A:HIS28 2.2 7.7 1.0 CE1 A:HIS28 3.0 9.6 1.0 CG A:HIS28 3.0 8.6 1.0 CE1 A:HIS125 3.0 14.7 1.0 CD2 A:HIS125 3.0 14.6 1.0 CA A:HIS28 3.2 7.7 1.0 CB A:HIS28 3.3 8.0 1.0 CZ A:PHE196 3.7 5.5 1.0 NE2 A:HIS28 4.1 9.6 1.0 O A:ALA123 4.1 14.0 1.0 ND1 A:HIS125 4.1 14.6 1.0 CD2 A:HIS28 4.1 8.7 1.0 CG A:HIS125 4.2 14.2 1.0 CB A:ALA123 4.2 13.6 1.0 CE1 A:PHE196 4.4 5.7 1.0 CE2 A:PHE196 4.5 5.5 1.0 C A:HIS28 4.5 7.3 1.0 O A:HOH508 4.9 17.7 1.0 O A:HIS28 4.9 6.8 1.0

Copper binding site 2 out of 2 in the Structure of An AA10 Lytic Polysaccharide Monooxygenase From Bacillus Amyloliquefaciens with Cu(II) Bound


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Structure of An AA10 Lytic Polysaccharide Monooxygenase From Bacillus Amyloliquefaciens with Cu(II) Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu302 b:12.6 occ:1.00 ND1 B:HIS28 2.0 8.7 1.0 NE2 B:HIS125 2.0 11.9 1.0 N B:HIS28 2.3 7.9 1.0 O B:HOH454 2.3 23.4 1.0 O B:HOH498 2.4 23.8 1.0 CG B:HIS28 3.0 8.4 1.0 CD2 B:HIS125 3.0 12.0 1.0 CE1 B:HIS28 3.0 8.8 1.0 CE1 B:HIS125 3.0 12.3 1.0 CA B:HIS28 3.2 8.1 1.0 CB B:HIS28 3.3 8.1 1.0 CZ B:PHE196 3.6 5.6 1.0 CB B:ALA123 4.1 13.8 1.0 CD2 B:HIS28 4.1 8.4 1.0 NE2 B:HIS28 4.1 8.9 1.0 CG B:HIS125 4.1 11.9 1.0 ND1 B:HIS125 4.1 11.8 1.0 O B:ALA123 4.3 13.7 1.0 CE1 B:PHE196 4.3 5.4 1.0 CE2 B:PHE196 4.5 5.4 1.0 C B:HIS28 4.5 8.0 1.0 O B:HOH526 4.7 14.6 1.0 O B:HIS28 4.9 8.2 1.0 O2 B:EDO303 5.0 23.3 1.0

R.C.Gregory, G.R.Hemsworth, J.P.Turkenburg, S.J.Hart, P.H.Walton, G.J.Davies. Activity, Stability and 3-D Structure of the Cu(II) Form of A Chitin-Active Lytic Polysaccharide Monooxygenase From Bacillus Amyloliquefaciens. Dalton Trans V. 45 16904 2016.
ISSN: ESSN 1477-9234
PubMed: 27722375
DOI: 10.1039/C6DT02793H