Copper in PDB 6h1z: AFGH61B Wild-Type

The structure of AFGH61B Wild-Type, PDB code: 6h1z was solved by L.Lo Leggio, J.C.N.Poulsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.43 / 1.57
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	37.670, 43.850, 60.010, 89.62, 108.33, 109.20
R / Rfree (%)	12.9 / 16.7

The structure of AFGH61B Wild-Type also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Copper atom in the AFGH61B Wild-Type (pdb code 6h1z). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the AFGH61B Wild-Type, PDB code: 6h1z:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the AFGH61B Wild-Type


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of AFGH61B Wild-Type within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu301 b:15.7 occ:0.30 ND1 A:HIC1 1.9 40.8 1.0 NE2 A:HIS86 2.0 14.0 1.0 N A:HIC1 2.4 30.2 1.0 CG A:HIC1 2.8 37.6 1.0 CE1 A:HIS86 2.9 15.3 1.0 CE1 A:HIC1 2.9 38.6 1.0 CD2 A:HIS86 3.0 14.2 1.0 CB A:HIC1 3.4 34.5 1.0 CA A:HIC1 3.4 30.2 1.0 OH A:TYR175 3.5 13.4 1.0 ND1 A:HIS86 4.0 14.3 1.0 CD2 A:HIC1 4.0 37.4 1.0 NE2 A:HIC1 4.0 41.3 1.0 CG A:HIS86 4.0 12.9 1.0 CG A:PRO83 4.3 18.3 1.0 OE1 A:GLN173 4.4 15.1 1.0 CZ A:TYR175 4.6 11.2 1.0 C A:HIC1 4.6 26.8 1.0 O A:HOH522 4.8 36.9 1.0 O A:HIC1 4.9 27.6 1.0

Copper binding site 2 out of 2 in the AFGH61B Wild-Type


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of AFGH61B Wild-Type within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu301 b:21.9 occ:0.20 ND1 B:HIC1 1.9 44.0 1.0 N B:HIC1 2.1 29.0 1.0 NE2 B:HIS86 2.6 23.0 1.0 CE1 B:HIC1 2.6 44.2 1.0 CG B:HIC1 3.1 41.4 1.0 CD2 B:HIS86 3.2 22.4 1.0 OH B:TYR175 3.3 13.4 1.0 CA B:HIC1 3.3 27.9 1.0 CE1 B:HIS86 3.7 21.7 1.0 CB B:HIC1 3.8 35.1 1.0 NE2 B:HIC1 3.8 50.2 1.0 OE1 B:GLN173 4.1 15.9 1.0 CD2 B:HIC1 4.1 45.6 1.0 CZ B:TYR175 4.4 11.6 1.0 CG B:PRO83 4.4 20.6 1.0 CG B:HIS86 4.4 20.4 1.0 C B:HIC1 4.5 26.6 1.0 ND1 B:HIS86 4.7 21.3 1.0 O B:HIC1 4.9 26.7 1.0 CE2 B:TYR175 5.0 10.9 1.0

L.Lo Leggio, C.D.Weihe, J.N.Poulsen, M.Sweeney, F.Rasmussen, J.Lin, L.De Maria, M.Wogulis. Structure of A Lytic Polysaccharide Monooxygenase From Aspergillus Fumigatus and An Engineered Thermostable Variant. Carbohydr. Res. V. 469 55 2018.
ISSN: ISSN 1873-426X
PubMed: 30296642
DOI: 10.1016/J.CARRES.2018.08.009