Copper in PDB 8k9p: Neutron X-Ray Joint Structure of Pseudoazurin From Alcaligenes Faecalis

The structure of Neutron X-Ray Joint Structure of Pseudoazurin From Alcaligenes Faecalis, PDB code: 8k9p was solved by Y.Fukuda, K.Kurihara, T.Inoue, T.Tamada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.50
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	50.168, 50.168, 98.292, 90, 90, 120
R / Rfree (%)	21.3 / 27.7

The binding sites of Copper atom in the Neutron X-Ray Joint Structure of Pseudoazurin From Alcaligenes Faecalis (pdb code 8k9p). 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 Neutron X-Ray Joint Structure of Pseudoazurin From Alcaligenes Faecalis, PDB code: 8k9p:

Copper binding site 1 out of 1 in the Neutron X-Ray Joint Structure of Pseudoazurin From Alcaligenes Faecalis


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Neutron X-Ray Joint Structure of Pseudoazurin From Alcaligenes Faecalis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:31.9 occ:0.95 ND1 A:HIS81 2.0 32.3 1.0 ND1 A:HIS40 2.0 31.4 1.0 SG A:CYS78 2.1 32.4 1.0 SD A:MET86 2.7 30.6 1.0 HB2 A:HIS81 2.8 30.2 1.0 CE1 A:HIS81 2.9 32.9 1.0 HA A:HIS40 2.9 33.0 1.0 CE1 A:HIS40 3.0 33.1 1.0 CG A:HIS81 3.0 33.2 1.0 CG A:HIS40 3.0 33.6 1.0 HE1 A:HIS81 3.1 29.2 1.0 HE1 A:HIS40 3.1 37.9 1.0 HB3 A:HIS40 3.2 35.9 1.0 HB3 A:CYS78 3.2 26.0 1.0 CB A:CYS78 3.2 28.6 1.0 HE3 A:MET86 3.2 56.9 1.0 HB2 A:CYS78 3.3 18.6 1.0 HG2 A:PRO80 3.4 33.1 1.0 CB A:HIS40 3.4 31.8 1.0 CB A:HIS81 3.4 32.0 1.0 CE A:MET86 3.4 37.3 1.0 CA A:HIS40 3.6 32.0 1.0 D A:HIS81 3.6 65.9 1.0 HE1 A:MET86 3.7 42.2 1.0 O A:GLY39 3.8 35.0 1.0 HB3 A:HIS81 3.9 33.5 1.0 NE2 A:HIS81 4.1 34.3 1.0 NE2 A:HIS40 4.1 34.5 1.0 CG A:MET86 4.1 28.7 1.0 D A:ASN41 4.1 26.7 1.0 CD2 A:HIS81 4.1 32.2 1.0 CD2 A:HIS40 4.1 35.2 1.0 HG2 A:MET86 4.2 38.0 1.0 HB2 A:HIS40 4.3 22.4 1.0 HE2 A:MET86 4.3 42.3 1.0 HB3 A:MET16 4.3 62.6 1.0 CG A:PRO80 4.3 34.6 1.0 HB3 A:MET86 4.4 37.2 1.0 C A:GLY39 4.4 34.7 1.0 HD2 A:PRO80 4.4 25.5 1.0 N A:HIS40 4.4 35.5 1.0 N A:HIS81 4.4 35.1 1.0 HB2 A:MET86 4.5 38.3 1.0 CA A:HIS81 4.5 31.4 1.0 CA A:CYS78 4.6 28.3 1.0 CB A:MET86 4.6 30.5 1.0 HG3 A:PRO80 4.7 22.9 1.0 N A:ASN41 4.7 31.9 1.0 C A:HIS40 4.8 33.5 1.0 HB2 A:PRO80 4.8 33.8 1.0 DE2 A:HIS81 4.8 38.6 1.0 HG3 A:MET86 4.8 22.2 1.0 DE2 A:HIS40 4.9 37.0 1.0 HA A:CYS78 4.9 23.1 1.0 SD A:MET16 4.9 36.3 1.0 CD A:PRO80 4.9 33.7 1.0 C A:CYS78 5.0 29.4 1.0 HD2 A:HIS40 5.0 51.0 1.0 HD2 A:HIS81 5.0 31.1 1.0

Y.Fukuda, M.Lintuluoto, K.Kurihara, K.Hasegawa, T.Inoue, T.Tamada. Overlooked Hydrogen Bond in A Blue Copper Protein Uncovered By Neutron and Sub- Angstrom Ngstrom Resolution X-Ray Crystallography Biochemistry 2024.
ISSN: ISSN 0006-2960
DOI: 10.1021/ACS.BIOCHEM.3C00517