Copper in PDB 6mjr: Azurin 122W/124F/126RE

The structure of Azurin 122W/124F/126RE, PDB code: 6mjr was solved by K.Takematsu, S.Zalis, H.B.Gray, A.Vlcek, J.R.Winkler, H.Williamson, J.T.Kaiser, J.Heyda, D.Hollas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.97 / 2.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.250, 63.260, 133.690, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 18.9

The structure of Azurin 122W/124F/126RE also contains other interesting chemical elements:

Rhenium

(Re)

4 atoms

The binding sites of Copper atom in the Azurin 122W/124F/126RE (pdb code 6mjr). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Azurin 122W/124F/126RE, PDB code: 6mjr:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Azurin 122W/124F/126RE


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Azurin 122W/124F/126RE within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:19.7 occ:1.00 ND1 A:HIS46 2.1 13.3 1.0 ND1 A:HIS117 2.1 17.8 1.0 SG A:CYS112 2.2 16.5 1.0 O A:GLY45 3.0 17.4 1.0 CE1 A:HIS46 3.0 14.3 1.0 CG A:HIS117 3.0 16.5 1.0 CE1 A:HIS117 3.1 21.0 1.0 CG A:HIS46 3.1 15.8 1.0 CB A:CYS112 3.2 10.9 1.0 SD A:MET121 3.3 17.3 1.0 CB A:HIS117 3.3 15.9 1.0 CA A:HIS46 3.4 18.5 1.0 CB A:HIS46 3.4 15.9 1.0 CB A:PHE114 3.8 13.7 1.0 CE A:MET121 3.9 14.0 1.0 C A:GLY45 3.9 20.6 1.0 N A:HIS46 4.0 17.7 1.0 NE2 A:HIS46 4.1 18.1 1.0 NE2 A:HIS117 4.2 17.5 1.0 CD2 A:HIS117 4.2 16.4 1.0 CD2 A:HIS46 4.2 18.6 1.0 C A:HIS46 4.5 17.2 1.0 N A:ASN47 4.6 15.8 1.0 CA A:CYS112 4.6 16.2 1.0 CG A:PHE114 4.7 14.9 1.0 CG A:MET121 4.8 14.2 1.0 N A:PHE114 4.8 15.4 1.0 CA A:HIS117 4.9 18.1 1.0 CA A:PHE114 4.9 18.2 1.0

Copper binding site 2 out of 4 in the Azurin 122W/124F/126RE


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Azurin 122W/124F/126RE within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:18.2 occ:1.00 ND1 B:HIS117 2.0 14.0 1.0 ND1 B:HIS46 2.1 15.3 1.0 SG B:CYS112 2.2 15.1 1.0 O B:GLY45 3.0 14.6 1.0 CG B:HIS117 3.0 14.4 1.0 CE1 B:HIS46 3.0 16.1 1.0 CE1 B:HIS117 3.0 15.9 1.0 CG B:HIS46 3.2 15.6 1.0 SD B:MET121 3.2 15.0 1.0 CB B:CYS112 3.2 12.7 1.0 CB B:HIS117 3.3 13.1 1.0 CA B:HIS46 3.4 14.6 1.0 CB B:HIS46 3.6 15.2 1.0 CB B:PHE114 3.8 18.2 1.0 CE B:MET121 3.8 9.0 1.0 C B:GLY45 3.9 15.0 1.0 N B:HIS46 4.1 15.1 1.0 NE2 B:HIS117 4.1 14.1 1.0 CD2 B:HIS117 4.2 11.0 1.0 NE2 B:HIS46 4.2 16.9 1.0 CD2 B:HIS46 4.3 16.6 1.0 C B:HIS46 4.6 14.7 1.0 N B:ASN47 4.6 14.1 1.0 CA B:CYS112 4.6 14.7 1.0 CG B:MET121 4.7 17.7 1.0 CG B:PHE114 4.7 14.8 1.0 N B:PHE114 4.7 16.2 1.0 CA B:HIS117 4.8 13.2 1.0 CA B:PHE114 4.8 16.2 1.0 CB B:MET121 5.0 16.0 1.0 C B:CYS112 5.0 14.6 1.0

Copper binding site 3 out of 4 in the Azurin 122W/124F/126RE


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Azurin 122W/124F/126RE within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu201 b:20.2 occ:1.00 ND1 C:HIS46 2.0 16.6 1.0 ND1 C:HIS117 2.1 18.3 1.0 SG C:CYS112 2.2 17.7 1.0 CE1 C:HIS46 2.9 14.7 1.0 CG C:HIS117 3.0 18.2 1.0 O C:GLY45 3.0 14.5 1.0 CE1 C:HIS117 3.1 20.1 1.0 CG C:HIS46 3.1 15.5 1.0 SD C:MET121 3.2 17.7 1.0 CB C:CYS112 3.2 15.0 1.0 CB C:HIS117 3.3 15.1 1.0 CA C:HIS46 3.4 17.1 1.0 CB C:HIS46 3.6 14.0 1.0 CB C:PHE114 3.8 18.4 1.0 CE C:MET121 3.9 14.3 1.0 C C:GLY45 4.0 15.3 1.0 NE2 C:HIS46 4.1 15.2 1.0 N C:HIS46 4.2 15.4 1.0 CD2 C:HIS46 4.2 14.6 1.0 CD2 C:HIS117 4.2 19.3 1.0 NE2 C:HIS117 4.2 19.5 1.0 C C:HIS46 4.6 16.2 1.0 N C:ASN47 4.6 14.6 1.0 CA C:CYS112 4.6 14.2 1.0 CG C:MET121 4.6 18.1 1.0 N C:PHE114 4.7 17.7 1.0 CG C:PHE114 4.7 16.8 1.0 CA C:HIS117 4.8 14.1 1.0 CA C:PHE114 4.8 17.9 1.0 CB C:MET121 4.9 16.9 1.0 C C:CYS112 5.0 14.8 1.0

Copper binding site 4 out of 4 in the Azurin 122W/124F/126RE


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Azurin 122W/124F/126RE within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu201 b:24.6 occ:1.00 ND1 D:HIS46 2.0 18.9 1.0 ND1 D:HIS117 2.1 17.1 1.0 SG D:CYS112 2.2 21.3 1.0 CE1 D:HIS46 3.0 18.4 1.0 O D:GLY45 3.0 24.0 1.0 CE1 D:HIS117 3.1 18.5 1.0 CG D:HIS117 3.1 17.7 1.0 CG D:HIS46 3.1 20.7 1.0 SD D:MET121 3.1 19.0 1.0 CB D:CYS112 3.2 15.9 1.0 CB D:HIS117 3.4 18.8 1.0 CA D:HIS46 3.4 23.9 1.0 CB D:HIS46 3.5 22.1 1.0 CE D:MET121 3.7 18.0 1.0 CB D:PHE114 3.8 18.6 1.0 C D:GLY45 3.9 23.1 1.0 NE2 D:HIS46 4.1 20.4 1.0 N D:HIS46 4.1 23.6 1.0 NE2 D:HIS117 4.2 19.2 1.0 CD2 D:HIS117 4.2 15.4 1.0 CD2 D:HIS46 4.2 20.8 1.0 N D:ASN47 4.5 21.6 1.0 C D:HIS46 4.5 22.5 1.0 CA D:CYS112 4.6 19.2 1.0 CG D:MET121 4.7 19.0 1.0 N D:PHE114 4.7 20.4 1.0 CG D:PHE114 4.7 19.6 1.0 CA D:PHE114 4.9 22.6 1.0 CA D:HIS117 4.9 15.8 1.0

K.Takematsu, H.R.Williamson, P.Nikolovski, J.T.Kaiser, Y.Sheng, P.Pospisil, M.Towrie, J.Heyda, D.Hollas, S.Zalis, H.B.Gray, A.Vlcek, J.R.Winkler. Two Tryptophans Are Better Than One in Accelerating Electron Flow Through A Protein. Acs Cent Sci V. 5 192 2019.
ISSN: ESSN 2374-7943
PubMed: 30693338
DOI: 10.1021/ACSCENTSCI.8B00882