Copper in PDB 4yl4: 1.1 Angstrom Resolution X-Ray Crystallographic Structure of Psudoazurin

The structure of 1.1 Angstrom Resolution X-Ray Crystallographic Structure of Psudoazurin, PDB code: 4yl4 was solved by T.Yamaguchi, S.Asamura, A.Takashina, M.Unno, T.Kohzuma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.04 / 1.10
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	56.019, 63.200, 67.045, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 18.6

The binding sites of Copper atom in the 1.1 Angstrom Resolution X-Ray Crystallographic Structure of Psudoazurin (pdb code 4yl4). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the 1.1 Angstrom Resolution X-Ray Crystallographic Structure of Psudoazurin, PDB code: 4yl4:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the 1.1 Angstrom Resolution X-Ray Crystallographic Structure of Psudoazurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of 1.1 Angstrom Resolution X-Ray Crystallographic Structure of Psudoazurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:8.2 occ:0.40 CU A:CU201 0.0 8.2 0.4 CU A:CU201 0.6 9.4 0.6 ND1 A:HIS81 1.9 9.8 1.0 ND1 A:HIS40 2.0 9.5 1.0 SG A:CYS78 2.2 9.8 1.0 CE1 A:HIS81 2.8 11.2 1.0 CG A:HIS81 2.9 9.7 1.0 CE1 A:HIS40 3.0 9.4 1.0 SD A:MET86 3.1 9.2 1.0 CG A:HIS40 3.1 8.7 1.0 CB A:HIS81 3.3 9.4 1.0 CB A:CYS78 3.4 9.2 1.0 CB A:HIS40 3.5 8.9 1.0 CA A:HIS40 3.5 8.7 1.0 O A:GLY39 3.6 12.5 1.0 CE A:MET86 3.9 13.2 1.0 NE2 A:HIS81 4.0 11.9 1.0 CD2 A:HIS81 4.0 10.7 1.0 NE2 A:HIS40 4.1 9.7 1.0 CG A:PRO80 4.2 11.4 1.0 C A:GLY39 4.2 10.2 1.0 CD2 A:HIS40 4.2 9.7 1.0 N A:HIS81 4.2 9.4 1.0 N A:HIS40 4.3 9.7 1.0 CA A:HIS81 4.4 9.2 1.0 CG A:MET86 4.5 8.8 1.0 N A:ASN41 4.6 8.5 1.0 C A:HIS40 4.7 8.4 1.0 CA A:CYS78 4.7 8.1 1.0 CD A:PRO80 4.8 10.7 1.0 CB A:MET86 4.9 8.8 1.0

Copper binding site 2 out of 2 in the 1.1 Angstrom Resolution X-Ray Crystallographic Structure of Psudoazurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of 1.1 Angstrom Resolution X-Ray Crystallographic Structure of Psudoazurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:9.4 occ:0.60 CU A:CU201 0.0 9.4 0.6 CU A:CU201 0.6 8.2 0.4 ND1 A:HIS40 2.0 9.5 1.0 ND1 A:HIS81 2.2 9.8 1.0 SG A:CYS78 2.2 9.8 1.0 SD A:MET86 2.6 9.2 1.0 CE1 A:HIS40 2.9 9.4 1.0 CG A:HIS40 3.0 8.7 1.0 CB A:CYS78 3.1 9.2 1.0 CG A:HIS81 3.2 9.7 1.0 CE1 A:HIS81 3.2 11.2 1.0 CB A:HIS81 3.4 9.4 1.0 CE A:MET86 3.4 13.2 1.0 CB A:HIS40 3.4 8.9 1.0 CA A:HIS40 3.6 8.7 1.0 CG A:MET86 4.0 8.8 1.0 NE2 A:HIS40 4.1 9.7 1.0 O A:GLY39 4.1 12.5 1.0 CD2 A:HIS40 4.1 9.7 1.0 CD2 A:HIS81 4.3 10.7 1.0 NE2 A:HIS81 4.3 11.9 1.0 N A:HIS81 4.4 9.4 1.0 CA A:CYS78 4.5 8.1 1.0 CB A:MET86 4.5 8.8 1.0 N A:HIS40 4.5 9.7 1.0 CA A:HIS81 4.5 9.2 1.0 N A:ASN41 4.6 8.5 1.0 C A:GLY39 4.6 10.2 1.0 CG A:PRO80 4.6 11.4 1.0 C A:HIS40 4.7 8.4 1.0

T.Yamaguchi, K.Akao, A.Takashina, S.Asamura, M.Unno, R.K.Szilagyi, T.Kohzuma. X-Ray Crystallographic Evidence For the Simultaneous Presence of Axial and Rhombic Sites in Cupredoxins: Atomic Resolution X-Ray Crystal Structure Analysis of Pseudoazurin and Dft Modelling Rsc Adv V. 6 88358 2016.
ISSN: ESSN 2046-2069
DOI: 10.1039/C6RA19282C