Copper in PDB 5ys5: Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions

The structure of Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions, PDB code: 5ys5 was solved by H.Q.Wang, X.Q.Liu, J.T.Zhao, Q.X.Yue, Y.H.Yan, Y.H.Dong, Y.L.Fan, J.Tian, N.F.Wu, Y.Gong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.568, 50.632, 66.623, 90.00, 93.91, 90.00
R / Rfree (%)	18.9 / 23.6

The binding sites of Copper atom in the Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions (pdb code 5ys5). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 7 binding sites of Copper where determined in the Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions, PDB code: 5ys5:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7;

Copper binding site 1 out of 7 in the Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu701 b:36.7 occ:1.00 ND1 A:HIS443 2.1 48.6 1.0 ND1 A:HIS505 2.2 27.8 1.0 SG A:CYS500 2.3 32.5 1.0 CG A:HIS443 3.0 36.5 1.0 CE1 A:HIS443 3.0 40.6 1.0 CG A:HIS505 3.1 28.7 1.0 CE1 A:HIS505 3.2 45.7 1.0 CB A:CYS500 3.3 40.1 1.0 CB A:HIS505 3.4 35.6 1.0 CB A:HIS443 3.4 34.2 1.0 SD A:MET510 3.4 47.0 1.0 CA A:HIS443 3.8 34.5 1.0 CE A:MET510 4.0 44.1 1.0 NE2 A:HIS443 4.1 42.3 1.0 O A:LEU442 4.1 35.1 1.0 CB A:LEU502 4.1 35.7 1.0 CD2 A:HIS443 4.1 43.0 1.0 CD2 A:HIS505 4.3 35.6 1.0 NE2 A:HIS505 4.3 34.9 1.0 CD1 A:LEU502 4.6 36.7 1.0 N A:HIS443 4.6 36.1 1.0 CA A:CYS500 4.7 36.8 1.0 C A:LEU442 4.8 41.1 1.0 CG A:LEU502 4.9 43.9 1.0 CA A:HIS505 4.9 36.6 1.0 C A:HIS443 4.9 35.2 1.0 O A:LEU502 4.9 35.3 1.0 CG A:MET510 5.0 42.2 1.0

Copper binding site 2 out of 7 in the Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu702 b:44.0 occ:1.00 ND1 A:HIS103 2.0 34.6 1.0 NE2 A:HIS141 2.1 42.9 1.0 NE2 A:HIS501 2.3 36.0 1.0 O A:HOH914 2.5 47.8 1.0 CE1 A:HIS141 3.0 48.3 1.0 CE1 A:HIS103 3.0 33.6 1.0 CG A:HIS103 3.0 37.4 1.0 CD2 A:HIS501 3.1 28.5 1.0 CD2 A:HIS141 3.1 34.3 1.0 CB A:HIS103 3.3 35.0 1.0 CE1 A:HIS501 3.4 39.4 1.0 CZ2 A:TRP139 3.7 23.9 1.0 CD2 A:HIS101 4.1 58.0 1.0 CE2 A:TRP139 4.1 30.6 1.0 NE2 A:HIS103 4.1 33.8 1.0 ND1 A:HIS141 4.1 54.0 1.0 CD2 A:HIS103 4.1 34.5 1.0 NE1 A:TRP139 4.1 31.2 1.0 CG A:HIS141 4.2 34.3 1.0 CD2 A:HIS446 4.3 31.2 1.0 CG A:HIS501 4.3 34.6 1.0 NE2 A:HIS446 4.3 42.6 1.0 NE2 A:HIS101 4.3 50.0 1.0 ND1 A:HIS501 4.4 30.8 1.0 CH2 A:TRP139 4.5 31.0 1.0 CA A:HIS103 4.6 33.7 1.0 CU A:CU703 4.8 74.3 1.0

Copper binding site 3 out of 7 in the Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu703 b:74.3 occ:1.00 NE2 A:HIS448 1.9 47.1 1.0 NE2 A:HIS499 2.1 43.7 1.0 NE2 A:HIS143 2.2 58.5 1.0 O A:HOH914 2.3 47.8 1.0 CE1 A:HIS448 2.7 50.9 1.0 CD2 A:HIS448 3.0 41.0 1.0 CD2 A:HIS499 3.0 29.2 1.0 CD2 A:HIS143 3.1 63.0 1.0 CE1 A:HIS143 3.1 57.0 1.0 CE1 A:HIS499 3.1 35.8 1.0 CD2 A:HIS446 3.5 31.2 1.0 NE2 A:HIS101 3.6 50.0 1.0 CD2 A:HIS101 3.7 58.0 1.0 ND1 A:HIS448 3.9 46.7 1.0 NE2 A:HIS446 4.0 42.6 1.0 CG A:HIS448 4.1 41.6 1.0 ND1 A:HIS143 4.2 59.7 1.0 CG A:HIS143 4.2 58.6 1.0 CG A:HIS499 4.2 37.4 1.0 ND1 A:HIS499 4.2 37.6 1.0 CE1 A:HIS101 4.4 53.5 1.0 CG A:HIS101 4.5 53.1 1.0 CB A:MET497 4.6 41.5 1.0 CG A:HIS446 4.7 30.5 1.0 OE2 A:GLU506 4.8 48.1 1.0 CU A:CU702 4.8 44.0 1.0 ND1 A:HIS101 4.8 53.4 1.0

Copper binding site 4 out of 7 in the Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu704 b:71.0 occ:0.70 NE2 A:HIS488 1.9 52.6 1.0 OD1 A:ASP132 1.9 72.0 1.0 OD2 A:ASP132 2.1 74.1 1.0 CG A:ASP132 2.3 60.9 1.0 O A:HOH804 2.4 44.8 1.0 CE1 A:HIS488 2.6 42.2 1.0 CD2 A:HIS488 3.0 45.1 1.0 ND1 A:HIS488 3.8 43.9 1.0 CB A:ASP132 3.8 57.7 1.0 O A:HOH811 3.8 51.4 1.0 O A:GLU106 3.9 48.4 1.0 CG A:HIS488 4.0 47.9 1.0 O A:ASN130 4.1 51.6 1.0 N A:ASP132 4.5 44.4 1.0 O A:HOH841 4.5 38.2 1.0 CA A:ASP132 4.6 58.0 1.0 O A:ASP132 4.8 61.9 1.0

Copper binding site 5 out of 7 in the Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu705 b:78.0 occ:0.70 NE2 A:HIS314 2.0 81.2 1.0 O A:HOH873 2.3 68.5 1.0 O A:HOH895 2.4 67.8 1.0 CE1 A:HIS314 2.9 82.3 1.0 CD2 A:HIS314 3.2 62.6 1.0 OD1 A:ASP311 4.0 76.2 1.0 ND1 A:HIS314 4.0 67.1 1.0 CG A:HIS314 4.2 63.4 1.0 O A:LYS312 4.3 49.7 1.0 N A:LYS312 4.8 67.5 1.0

Copper binding site 6 out of 7 in the Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu706 b:81.4 occ:0.70 NE2 A:HIS494 2.0 72.2 1.0 OE1 A:GLU110 2.3 79.0 1.0 CD2 A:HIS494 2.6 72.0 1.0 OE1 A:GLN116 2.9 79.1 1.0 CE1 A:HIS494 3.2 73.7 1.0 CD A:GLU110 3.3 82.7 1.0 CG A:GLU110 3.9 74.4 1.0 CG A:HIS494 3.9 64.8 1.0 CD A:GLN116 3.9 76.5 1.0 ND1 A:HIS494 4.1 67.5 1.0 OE2 A:GLU110 4.2 88.0 1.0 CG A:GLU493 4.3 68.5 1.0 NE2 A:GLN116 4.4 71.5 1.0 O A:HOH886 4.5 68.0 1.0 OE2 A:GLU493 4.8 61.5 1.0 O A:HOH875 4.9 63.4 1.0

Copper binding site 7 out of 7 in the Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Crystal Structure of Multicopper Oxidase Cueo G304K Mutant with Seven Copper Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu707 b:0.3 occ:0.70 NE2 A:HIS145 2.2 97.6 1.0 O A:HOH844 2.4 80.1 1.0 NE2 A:HIS406 2.4 89.2 1.0 CE1 A:HIS145 2.5 93.2 1.0 CE1 A:HIS406 3.0 87.5 1.0 CD2 A:HIS145 3.6 85.5 1.0 CD2 A:HIS406 3.6 86.9 1.0 ND1 A:HIS145 3.8 77.2 1.0 O A:PHE415 4.1 64.0 1.0 ND1 A:HIS406 4.2 88.2 1.0 CG A:HIS145 4.3 81.0 1.0 CG A:HIS406 4.5 86.2 1.0

H.Wang, X.Liu, J.Zhao, Q.Yue, Y.Yan, Z.Gao, Y.Dong, Z.Zhang, Y.Fan, J.Tian, N.Wu, Y.Gong. Crystal Structures of Multicopper Oxidase Cueo G304K Mutant: Structural Basis of the Increased Laccase Activity Sci Rep V. 8 14252 2018.
ISSN: ESSN 2045-2322
PubMed: 30250139
DOI: 10.1038/S41598-018-32446-7