Copper in PDB 2yar: X-Ray Induced Reduction of Laccase From Thermus Thermophilus HB27 (87.5-100.0 Percent Dose)

All present enzymatic activity of X-Ray Induced Reduction of Laccase From Thermus Thermophilus HB27 (87.5-100.0 Percent Dose):
1.10.3.2;

The structure of X-Ray Induced Reduction of Laccase From Thermus Thermophilus HB27 (87.5-100.0 Percent Dose), PDB code: 2yar was solved by H.Serrano-Posada, E.Rudino-Pinera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.696 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	93.712, 110.394, 96.446, 90.00, 90.00, 90.00
R / Rfree (%)	14.96 / 18.32

The binding sites of Copper atom in the X-Ray Induced Reduction of Laccase From Thermus Thermophilus HB27 (87.5-100.0 Percent Dose) (pdb code 2yar). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the X-Ray Induced Reduction of Laccase From Thermus Thermophilus HB27 (87.5-100.0 Percent Dose), PDB code: 2yar:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in the X-Ray Induced Reduction of Laccase From Thermus Thermophilus HB27 (87.5-100.0 Percent Dose)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of X-Ray Induced Reduction of Laccase From Thermus Thermophilus HB27 (87.5-100.0 Percent Dose) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1463 b:15.6 occ:0.39 NE2 A:HIS398 1.8 6.2 1.0 NE2 A:HIS444 1.9 8.1 1.0 NE2 A:HIS137 2.2 12.7 0.5 O A:OH1480 2.4 30.1 0.7 CD2 A:HIS137 2.6 12.7 0.5 CE1 A:HIS398 2.7 6.9 1.0 HO A:OH1480 2.7 36.1 0.7 CD2 A:HIS444 2.8 6.4 1.0 CD2 A:HIS398 2.9 6.2 1.0 CE1 A:HIS444 3.0 12.5 1.0 CD2 A:HIS137 3.0 10.9 0.5 NE2 A:HIS137 3.1 14.5 0.5 CE1 A:HIS137 3.5 18.1 0.5 CD2 A:HIS396 3.6 7.2 1.0 CD2 A:HIS95 3.7 12.4 1.0 NE2 A:HIS95 3.8 12.7 1.0 ND1 A:HIS398 3.8 6.6 1.0 CG A:HIS137 3.9 12.7 0.5 O A:HOH2486 3.9 18.9 1.0 CG A:HIS398 3.9 6.7 1.0 CG A:HIS137 4.0 12.5 0.5 CG A:HIS444 4.0 6.8 1.0 CE1 A:HIS137 4.0 17.1 0.5 ND1 A:HIS444 4.0 7.8 1.0 NE2 A:HIS396 4.1 7.1 1.0 ND1 A:HIS137 4.3 15.5 0.5 CG2 A:VAL442 4.3 2.4 1.0 CG A:HIS95 4.4 9.0 1.0 ND1 A:HIS137 4.5 17.1 0.5 CE1 A:HIS95 4.5 11.1 1.0 ND1 A:HIS95 4.7 9.2 1.0 OE1 A:GLU451 4.7 6.0 0.4 OE2 A:GLU451 4.7 13.8 0.4 CG A:HIS396 4.9 4.3 1.0 CD A:GLU451 4.9 3.2 0.4 CB A:HIS137 4.9 9.2 0.5

Copper binding site 2 out of 3 in the X-Ray Induced Reduction of Laccase From Thermus Thermophilus HB27 (87.5-100.0 Percent Dose)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of X-Ray Induced Reduction of Laccase From Thermus Thermophilus HB27 (87.5-100.0 Percent Dose) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1464 b:8.8 occ:0.94 ND1 A:HIS97 2.0 6.6 1.0 NE2 A:HIS135 2.1 4.8 1.0 NE2 A:HIS446 2.1 6.2 1.0 O A:OH1480 2.8 30.1 0.7 HO A:OH1480 2.9 36.1 0.7 CE1 A:HIS446 3.0 5.3 1.0 CE1 A:HIS97 3.0 6.8 1.0 CD2 A:HIS135 3.0 4.1 1.0 CE1 A:HIS135 3.1 9.0 1.0 CG A:HIS97 3.1 6.8 1.0 CD2 A:HIS446 3.2 7.0 1.0 CB A:HIS97 3.4 6.4 1.0 CZ2 A:TRP133 3.5 5.5 1.0 CD2 A:HIS95 3.7 12.4 1.0 CE2 A:TRP133 3.8 3.2 1.0 NE1 A:TRP133 4.0 4.5 1.0 NE2 A:HIS97 4.1 6.7 1.0 ND1 A:HIS446 4.1 3.2 1.0 ND1 A:HIS135 4.2 2.7 1.0 CD2 A:HIS97 4.2 7.2 1.0 CG A:HIS135 4.2 2.5 1.0 CG A:HIS446 4.3 5.4 1.0 CH2 A:TRP133 4.3 3.0 1.0 NE2 A:HIS95 4.3 12.7 1.0 NE2 A:HIS396 4.4 7.1 1.0 CD2 A:HIS396 4.5 7.2 1.0 CA A:HIS97 4.7 4.2 1.0 CD2 A:TRP133 4.8 2.2 1.0 CG A:HIS95 4.8 9.0 1.0 CD1 A:TRP133 5.0 3.8 1.0

Copper binding site 3 out of 3 in the X-Ray Induced Reduction of Laccase From Thermus Thermophilus HB27 (87.5-100.0 Percent Dose)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of X-Ray Induced Reduction of Laccase From Thermus Thermophilus HB27 (87.5-100.0 Percent Dose) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1465 b:9.3 occ:0.97 ND1 A:HIS393 2.1 7.7 1.0 ND1 A:HIS450 2.1 6.6 1.0 SG A:CYS445 2.2 6.9 1.0 CE1 A:HIS393 3.0 8.2 1.0 CG A:HIS450 3.1 6.4 1.0 CE1 A:HIS450 3.1 8.3 1.0 CG A:HIS393 3.2 5.1 1.0 CB A:CYS445 3.3 5.9 1.0 CB A:HIS450 3.3 4.8 1.0 CB A:HIS393 3.6 7.0 1.0 SD A:MET455 3.6 16.9 1.0 CD1 A:ILE447 4.0 5.8 1.0 CB A:ILE447 4.0 4.3 1.0 CA A:HIS393 4.0 5.5 1.0 NE2 A:HIS393 4.1 8.6 1.0 NE2 A:HIS450 4.2 5.2 1.0 CD2 A:HIS450 4.2 6.4 1.0 CD2 A:HIS393 4.2 5.4 1.0 CG1 A:ILE447 4.5 4.5 1.0 O A:ASP392 4.5 5.8 1.0 CE A:MET455 4.6 17.1 1.0 CD A:PRO394 4.6 3.5 1.0 CA A:CYS445 4.6 4.3 1.0 O A:ILE447 4.7 6.3 1.0 CG2 A:ILE447 4.8 5.4 1.0 N A:ILE447 4.8 3.1 1.0 CA A:HIS450 4.9 5.8 1.0 CA A:ILE447 4.9 5.0 1.0 C A:HIS393 5.0 3.9 1.0

H.Serrano-Posada, S.Centeno-Leija, S.P.Rojas-Trejo, C.Rodriguez-Almazan, V.Stojanoff, E.Rudino-Pinera. X-Ray-Induced Catalytic Active-Site Reduction of A Multicopper Oxidase: Structural Insights Into the Proton- Relay Mechanism and O2-Reduction States. Acta Crystallogr.,Sect.D V. 71 2396 2015.
ISSN: ISSN 0907-4449
PubMed: 26627648
DOI: 10.1107/S1399004715018714