Copper in PDB 5ach: X-Ray Structure of Lpmo

The structure of X-Ray Structure of Lpmo, PDB code: 5ach was solved by K.E.H.Frandsen, J.N.Poulsen, M.Tovborg, K.S.Johansen, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.57 / 1.28
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	124.700, 124.700, 124.700, 90.00, 90.00, 90.00
R / Rfree (%)	11.8 / 14.7

The structure of X-Ray Structure of Lpmo also contains other interesting chemical elements:

Chlorine

(Cl)

16 atoms

The binding sites of Copper atom in the X-Ray Structure of Lpmo (pdb code 5ach). 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 Structure of Lpmo, PDB code: 5ach:

Copper binding site 1 out of 1 in the X-Ray Structure of Lpmo


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of X-Ray Structure of Lpmo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu301 b:12.4 occ:0.90 ND1 A:HIC1 1.9 12.9 1.0 NE2 A:HIS78 2.0 13.3 1.0 O A:HOH2004 2.1 24.5 0.5 N A:HIC1 2.2 12.3 1.0 OH A:TYR164 2.8 11.8 1.0 CG A:HIC1 2.9 12.3 1.0 CE1 A:HIC1 2.9 13.7 1.0 CE1 A:HIS78 3.0 14.5 1.0 CD2 A:HIS78 3.0 13.0 1.0 CA A:HIC1 3.2 11.0 1.0 O A:HOH2003 3.3 23.0 1.0 CB A:HIC1 3.3 11.9 1.0 O A:HOH2005 3.6 52.5 1.0 CZ A:TYR164 3.7 10.1 1.0 OE1 A:GLN162 3.8 15.9 1.0 CL A:CL501 3.9 29.5 0.5 NE2 A:HIC1 4.0 14.0 1.0 CD2 A:HIC1 4.0 13.0 1.0 O A:HOH2001 4.1 16.5 1.0 ND1 A:HIS78 4.1 13.6 1.0 CG A:HIS78 4.1 13.4 1.0 CE1 A:TYR164 4.4 10.2 1.0 C A:HIC1 4.5 11.2 1.0 CE2 A:TYR164 4.5 10.4 1.0 O A:HOH2002 4.6 55.4 1.0 CD A:GLN162 4.9 13.0 1.0 O A:HIC1 5.0 12.9 1.0

K.E.Frandsen, T.J.Simmons, P.Dupree, J.C.Poulsen, G.R.Hemsworth, L.Ciano, E.M.Johnston, M.Tovborg, K.S.Johansen, P.Von Freiesleben, L.Marmuse, S.Fort, S.Cottaz, H.Driguez, B.Henrissat, N.Lenfant, F.Tuna, A.Baldansuren, G.J.Davies, L.Lo Leggio, P.H.Walton. The Molecular Basis of Polysaccharide Cleavage By Lytic Polysaccharide Monooxygenases. Nat. Chem. Biol. V. 12 298 2016.
ISSN: ESSN 1552-4469
PubMed: 26928935
DOI: 10.1038/NCHEMBIO.2029