Copper in PDB 4alq: X-Ray Photoreduction of Polysaccharide Monooxygenase CBM33

The structure of X-Ray Photoreduction of Polysaccharide Monooxygenase CBM33, PDB code: 4alq was solved by M.Gudmundsson, M.Wu, T.Ishida, M.H.Momeni, G.Vaaje-Kolstad, V.Eijsink, M.Sandgren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.65 / 1.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.455, 48.615, 68.514, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 18.3

The binding sites of Copper atom in the X-Ray Photoreduction of Polysaccharide Monooxygenase CBM33 (pdb code 4alq). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total only one binding site of Copper was determined in the X-Ray Photoreduction of Polysaccharide Monooxygenase CBM33, PDB code: 4alq:

Copper binding site 1 out of 1 in the X-Ray Photoreduction of Polysaccharide Monooxygenase CBM33


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of X-Ray Photoreduction of Polysaccharide Monooxygenase CBM33 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu195 b:6.6 occ:1.00 NE2 A:HIS114 1.9 7.4 1.0 ND1 A:HIS29 2.0 5.9 1.0 N A:HIS29 2.1 5.7 1.0 O A:HOH2001 2.3 20.9 1.0 O A:HOH2002 2.4 19.1 1.0 CD2 A:HIS114 2.9 7.7 1.0 CE1 A:HIS114 2.9 7.8 1.0 CG A:HIS29 3.0 5.7 1.0 CE1 A:HIS29 3.0 6.0 1.0 CA A:HIS29 3.2 5.7 1.0 CB A:HIS29 3.3 5.8 1.0 CZ A:PHE185 3.4 5.5 1.0 CB A:ALA112 3.8 7.5 1.0 O A:ALA112 4.0 7.8 1.0 ND1 A:HIS114 4.1 7.7 1.0 CE1 A:PHE185 4.1 5.3 1.0 CG A:HIS114 4.1 7.7 1.0 NE2 A:HIS29 4.1 5.9 1.0 CD2 A:HIS29 4.1 5.8 1.0 CE2 A:PHE185 4.3 5.3 1.0 O A:HOH2183 4.4 14.5 1.0 C A:HIS29 4.5 5.6 1.0 O A:HOH2084 4.5 21.3 1.0 C A:ALA112 4.8 7.7 1.0 O A:HOH2016 4.8 21.6 1.0 CA A:ALA112 4.8 7.4 1.0 O A:HIS29 4.9 5.8 1.0

M.Gudmundsson, S.Kim, M.Wu, T.Ishida, M.Haddad Momeni, G.Vaaje-Kolstad, D.Lundberg, A.Royant, J.Stahlberg, V.G.Eijsink, G.T.Beckham, M.Sandgren. Structural and Electronic Snapshots During the Transition From A Cu(II) to Cu(I) Metal Center of A Lytic Polysaccharide Monooxygenase By X-Ray Photo-Reduction. J.Biol.Chem. V. 289 18782 2014.
ISSN: ISSN 0021-9258
PubMed: 24828494
DOI: 10.1074/JBC.M114.563494