Copper in PDB 5g3g: Preserving Metallic Sites Affected By Radiation Damage the CUT2 Case in Thermus Thermophilus Multicopper Oxidase

The structure of Preserving Metallic Sites Affected By Radiation Damage the CUT2 Case in Thermus Thermophilus Multicopper Oxidase, PDB code: 5g3g was solved by R.Ruiz-Arellano, A.Diaz, E.Rosas, E.Rudino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.71 / 1.84
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	93.744, 110.332, 96.484, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 17.6

The structure of Preserving Metallic Sites Affected By Radiation Damage the CUT2 Case in Thermus Thermophilus Multicopper Oxidase also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Copper atom in the Preserving Metallic Sites Affected By Radiation Damage the CUT2 Case in Thermus Thermophilus Multicopper Oxidase (pdb code 5g3g). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the Preserving Metallic Sites Affected By Radiation Damage the CUT2 Case in Thermus Thermophilus Multicopper Oxidase, PDB code: 5g3g:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in the Preserving Metallic Sites Affected By Radiation Damage the CUT2 Case in Thermus Thermophilus Multicopper Oxidase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Preserving Metallic Sites Affected By Radiation Damage the CUT2 Case in Thermus Thermophilus Multicopper Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1463 b:20.0 occ:0.28 NE2 A:HIS398 1.8 8.3 1.0 NE2 A:HIS444 1.8 9.3 1.0 NE2 A:HIS137 2.4 22.8 1.0 CD2 A:HIS137 2.6 18.7 1.0 CE1 A:HIS398 2.6 8.0 1.0 CD2 A:HIS444 2.7 10.1 1.0 CE1 A:HIS444 2.9 10.5 1.0 CD2 A:HIS398 3.0 9.3 1.0 CE1 A:HIS137 3.6 28.3 1.0 CG A:HIS137 3.7 17.6 1.0 ND1 A:HIS398 3.8 10.5 1.0 CD2 A:HIS95 3.8 12.4 1.0 CD2 A:HIS396 3.8 9.2 1.0 CG A:HIS444 3.9 10.0 1.0 ND1 A:HIS444 3.9 8.0 1.0 NE2 A:HIS95 3.9 14.6 1.0 O A:HOH2150 4.0 30.5 1.0 CG A:HIS398 4.0 9.4 1.0 OE2 A:GLU451 4.0 27.1 0.4 ND1 A:HIS137 4.2 28.5 1.0 CG2 A:VAL442 4.3 4.0 1.0 NE2 A:HIS396 4.3 10.3 1.0 CG A:HIS95 4.4 8.6 1.0 CE1 A:HIS95 4.6 11.9 1.0 CD A:GLU451 4.6 14.0 0.4 OE1 A:GLU451 4.7 12.4 0.4 ND1 A:HIS95 4.8 10.8 1.0 CB A:HIS137 4.9 13.2 1.0

Copper binding site 2 out of 3 in the Preserving Metallic Sites Affected By Radiation Damage the CUT2 Case in Thermus Thermophilus Multicopper Oxidase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Preserving Metallic Sites Affected By Radiation Damage the CUT2 Case in Thermus Thermophilus Multicopper Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1464 b:9.6 occ:0.80 ND1 A:HIS393 2.1 9.8 1.0 ND1 A:HIS450 2.1 6.6 1.0 SG A:CYS445 2.2 10.9 1.0 CE1 A:HIS393 2.9 11.0 1.0 CE1 A:HIS450 3.1 11.6 1.0 CG A:HIS450 3.1 7.2 1.0 CG A:HIS393 3.2 8.9 1.0 CB A:CYS445 3.3 8.8 1.0 CB A:HIS450 3.4 5.0 1.0 SD A:MET455 3.4 6.6 0.4 CB A:HIS393 3.7 10.5 1.0 CE A:MET455 3.8 14.5 0.4 SD A:MET455 3.9 19.9 0.6 CD1 A:ILE447 3.9 9.1 1.0 CB A:ILE447 4.0 5.7 1.0 CA A:HIS393 4.0 6.2 1.0 NE2 A:HIS393 4.1 13.3 1.0 NE2 A:HIS450 4.2 6.7 1.0 CD2 A:HIS393 4.2 6.7 1.0 CD2 A:HIS450 4.2 10.0 1.0 CG1 A:ILE447 4.4 8.8 1.0 O A:ASP392 4.4 6.3 1.0 CD A:PRO394 4.5 4.4 1.0 CE A:MET455 4.6 8.4 0.6 CA A:CYS445 4.6 5.1 1.0 O A:ILE447 4.7 7.6 1.0 N A:ILE447 4.8 5.1 1.0 CG2 A:ILE447 4.8 6.9 1.0 CA A:ILE447 4.9 7.7 1.0 CA A:HIS450 4.9 8.0 1.0 CG A:MET455 4.9 14.0 0.4 C A:HIS393 5.0 5.5 1.0

Copper binding site 3 out of 3 in the Preserving Metallic Sites Affected By Radiation Damage the CUT2 Case in Thermus Thermophilus Multicopper Oxidase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Preserving Metallic Sites Affected By Radiation Damage the CUT2 Case in Thermus Thermophilus Multicopper Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1465 b:9.7 occ:1.00 ND1 A:HIS97 2.0 7.0 1.0 NE2 A:HIS135 2.1 8.8 1.0 NE2 A:HIS446 2.1 7.3 1.0 CD2 A:HIS135 2.9 5.6 1.0 CE1 A:HIS97 3.0 7.9 1.0 CE1 A:HIS446 3.0 5.8 1.0 CG A:HIS97 3.0 8.6 1.0 CE1 A:HIS135 3.1 8.9 1.0 CD2 A:HIS446 3.2 8.2 1.0 CB A:HIS97 3.4 7.3 1.0 CZ2 A:TRP133 3.5 5.7 1.0 CD2 A:HIS95 3.7 12.4 1.0 CE2 A:TRP133 3.8 5.4 1.0 NE1 A:TRP133 4.0 5.7 1.0 NE2 A:HIS97 4.1 7.9 1.0 CG A:HIS135 4.1 6.2 1.0 CD2 A:HIS97 4.1 10.7 1.0 ND1 A:HIS446 4.2 7.7 1.0 ND1 A:HIS135 4.2 6.8 1.0 NE2 A:HIS95 4.3 14.6 1.0 CG A:HIS446 4.3 5.3 1.0 CH2 A:TRP133 4.3 4.9 1.0 NE2 A:HIS396 4.4 10.3 1.0 CD2 A:HIS396 4.5 9.2 1.0 CA A:HIS97 4.6 5.9 1.0 CD2 A:TRP133 4.8 3.8 1.0 CG A:HIS95 4.9 8.6 1.0 CD1 A:TRP133 4.9 3.4 1.0

R.Ruiz-Arellano, A.Diaz, E.Rosas, V.Stojanoff, E.Rudino. Preserving Metallic Sites Affected By Radiation Damage the CUT2 Case in Thermus Thermophilus Multicopper Oxidase To Be Published.