Copper in PDB 2ux6: Pseudoazurin with Engineered Amicyanin Ligand Loop, Oxidized Form, pH 7.5

The structure of Pseudoazurin with Engineered Amicyanin Ligand Loop, Oxidized Form, pH 7.5, PDB code: 2ux6 was solved by M.Velarde, R.Huber, S.Yanagisawa, C.Dennison, A.Messerschmidt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.30
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	105.627, 105.626, 57.925, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 22.6

The structure of Pseudoazurin with Engineered Amicyanin Ligand Loop, Oxidized Form, pH 7.5 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Copper atom in the Pseudoazurin with Engineered Amicyanin Ligand Loop, Oxidized Form, pH 7.5 (pdb code 2ux6). 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 Pseudoazurin with Engineered Amicyanin Ligand Loop, Oxidized Form, pH 7.5, PDB code: 2ux6:

Copper binding site 1 out of 1 in the Pseudoazurin with Engineered Amicyanin Ligand Loop, Oxidized Form, pH 7.5


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Pseudoazurin with Engineered Amicyanin Ligand Loop, Oxidized Form, pH 7.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1123 b:23.8 occ:1.00 ND1 A:HIS81 2.1 22.0 1.0 ND1 A:HIS40 2.1 22.6 1.0 SG A:CYS78 2.2 23.9 1.0 SD A:MET84 2.4 22.6 1.0 CE1 A:HIS81 3.0 22.7 1.0 CE1 A:HIS40 3.0 22.3 1.0 CG A:HIS40 3.1 22.0 1.0 CG A:HIS81 3.1 23.1 1.0 CB A:CYS78 3.2 23.9 1.0 CE A:MET84 3.2 24.2 1.0 CB A:HIS40 3.5 22.2 1.0 CB A:HIS81 3.5 23.7 1.0 CG A:MET84 3.7 21.7 1.0 CA A:HIS40 3.9 22.1 1.0 CB A:MET84 4.1 21.7 1.0 NE2 A:HIS81 4.1 23.8 1.0 NE2 A:HIS40 4.2 22.9 1.0 CD2 A:HIS81 4.2 24.0 1.0 CD2 A:HIS40 4.2 23.0 1.0 O A:GLY39 4.4 22.8 1.0 CG A:PRO80 4.6 24.5 1.0 CA A:CYS78 4.6 23.8 1.0 N A:HIS81 4.7 23.6 1.0 CA A:HIS81 4.7 23.5 1.0 N A:HIS40 4.8 22.4 1.0 N A:ASN41 4.8 22.5 1.0 CB A:MET16 4.8 23.0 1.0 C A:HIS40 4.9 22.4 1.0 C A:GLY39 4.9 22.4 1.0 SD A:MET16 5.0 24.5 1.0

M.Velarde, R.Huber, S.Yanagisawa, C.Dennison, A.Messerschmidt. Influence of Loop Shortening on the Metal Binding Site of Cupredoxin Pseudoazurin. Biochemistry V. 46 9981 2007.
ISSN: ISSN 0006-2960
PubMed: 17685636
DOI: 10.1021/BI701113W