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

The structure of Azurin 122F/124W/126RE, PDB code: 6mjt 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)	20.99 / 1.89
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.910, 33.970, 77.260, 90.00, 98.55, 90.00
R / Rfree (%)	22.1 / 24.5

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

Rhenium

(Re)

2 atoms

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

Copper binding site 1 out of 2 in the Azurin 122F/124W/126RE


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Azurin 122F/124W/126RE within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:24.6 occ:1.00 ND1 A:HIS46 2.0 32.0 1.0 ND1 A:HIS117 2.0 30.4 1.0 SG A:CYS112 2.3 22.0 1.0 HA A:HIS46 2.5 36.5 1.0 CE1 A:HIS46 2.9 33.8 1.0 O A:GLY45 2.9 30.6 1.0 CE1 A:HIS117 2.9 32.1 1.0 CG A:HIS46 3.0 31.8 1.0 HE1 A:HIS46 3.0 40.5 1.0 HB3 A:PHE114 3.1 30.6 1.0 HE1 A:HIS117 3.1 38.6 1.0 CG A:HIS117 3.1 30.3 1.0 HB3 A:HIS117 3.2 34.6 1.0 HB3 A:CYS112 3.2 24.9 1.0 CB A:CYS112 3.2 20.7 1.0 SD A:MET121 3.2 27.5 1.0 CA A:HIS46 3.3 30.4 1.0 HB3 A:HIS46 3.4 37.1 1.0 CB A:HIS46 3.4 30.9 1.0 HB2 A:CYS112 3.4 24.9 1.0 CB A:HIS117 3.5 28.8 1.0 HB2 A:HIS117 3.6 34.6 1.0 HB2 A:PHE114 3.6 30.6 1.0 HE1 A:MET121 3.6 32.1 1.0 CB A:PHE114 3.8 25.5 1.0 C A:GLY45 3.8 31.0 1.0 CE A:MET121 3.9 26.8 1.0 N A:HIS46 4.0 32.4 1.0 NE2 A:HIS46 4.0 34.7 1.0 H A:ASN47 4.0 26.9 1.0 H A:PHE114 4.1 27.6 1.0 NE2 A:HIS117 4.1 33.1 1.0 CD2 A:HIS46 4.1 33.5 1.0 HE2 A:MET121 4.1 32.1 1.0 CD2 A:HIS117 4.2 32.1 1.0 HB2 A:HIS46 4.4 37.1 1.0 C A:HIS46 4.5 29.7 1.0 N A:ASN47 4.5 22.4 1.0 CG A:PHE114 4.6 27.4 1.0 CA A:CYS112 4.6 19.1 1.0 HB2 A:MET121 4.7 30.2 1.0 HG2 A:MET13 4.7 61.1 1.0 CG A:MET121 4.7 27.3 1.0 N A:PHE114 4.7 23.0 1.0 HE2 A:HIS46 4.8 41.7 1.0 H A:HIS46 4.8 38.9 1.0 HE3 A:MET121 4.8 32.1 1.0 CA A:PHE114 4.8 24.7 1.0 HE2 A:HIS117 4.8 39.7 1.0 HB3 A:MET121 4.9 30.2 1.0 HG3 A:MET121 4.9 32.8 1.0 HD2 A:HIS46 5.0 40.2 1.0 HA A:CYS112 5.0 23.0 1.0 HD12 A:LEU86 5.0 47.8 1.0 CA A:HIS117 5.0 29.6 1.0

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


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Azurin 122F/124W/126RE within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:24.2 occ:1.00 ND1 B:HIS46 1.8 24.7 1.0 ND1 B:HIS117 1.9 28.6 1.0 SG B:CYS112 2.2 17.8 1.0 HA B:HIS46 2.5 30.4 1.0 CE1 B:HIS46 2.7 25.7 1.0 CE1 B:HIS117 2.8 30.1 1.0 HE1 B:HIS46 2.8 30.9 1.0 O B:GLY45 2.8 27.0 1.0 HE1 B:HIS117 2.9 36.1 1.0 CG B:HIS46 2.9 25.1 1.0 CG B:HIS117 3.0 28.9 1.0 HB3 B:HIS117 3.1 33.3 1.0 HB3 B:CYS112 3.2 20.6 1.0 HB3 B:PHE114 3.2 26.9 1.0 CB B:CYS112 3.2 17.1 1.0 SD B:MET121 3.2 27.0 1.0 CA B:HIS46 3.3 25.4 1.0 CB B:HIS46 3.4 24.9 1.0 HB2 B:CYS112 3.4 20.6 1.0 CB B:HIS117 3.4 27.8 1.0 HB3 B:HIS46 3.4 29.9 1.0 HB2 B:HIS117 3.5 33.3 1.0 HB2 B:PHE114 3.6 26.9 1.0 C B:GLY45 3.8 27.9 1.0 HE1 B:MET121 3.8 31.9 1.0 NE2 B:HIS46 3.8 26.7 1.0 CB B:PHE114 3.9 22.4 1.0 NE2 B:HIS117 3.9 31.3 1.0 N B:HIS46 4.0 27.2 1.0 CD2 B:HIS46 4.0 26.3 1.0 H B:ASN47 4.0 24.8 1.0 CD2 B:HIS117 4.0 30.6 1.0 CE B:MET121 4.1 26.6 1.0 H B:PHE114 4.1 24.4 1.0 HE2 B:MET121 4.3 31.9 1.0 HB2 B:HIS46 4.3 29.9 1.0 C B:HIS46 4.4 26.1 1.0 N B:ASN47 4.5 20.7 1.0 HE2 B:HIS46 4.6 32.0 1.0 HB2 B:MET121 4.6 30.4 1.0 CA B:CYS112 4.6 16.0 1.0 HE2 B:HIS117 4.7 37.6 1.0 CG B:MET121 4.7 27.1 1.0 CG B:PHE114 4.7 24.0 1.0 H B:HIS46 4.8 32.6 1.0 HG2 B:MET13 4.8 46.9 1.0 N B:PHE114 4.8 20.4 1.0 HD2 B:HIS46 4.8 31.6 1.0 HG3 B:MET121 4.9 32.5 1.0 HB3 B:MET121 4.9 30.4 1.0 CA B:HIS117 4.9 28.8 1.0 HD2 B:HIS117 4.9 36.7 1.0 HE3 B:MET121 4.9 31.9 1.0 CA B:PHE114 4.9 21.6 1.0 HA B:CYS112 5.0 19.2 1.0 CB B:MET121 5.0 25.3 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