Copper in PDB 2xu9: Crystal Structure of Laccase From Thermus Thermophilus HB27

All present enzymatic activity of Crystal Structure of Laccase From Thermus Thermophilus HB27:
1.10.3.2;

The structure of Crystal Structure of Laccase From Thermus Thermophilus HB27, PDB code: 2xu9 was solved by H.Serrano-Posada, B.Valderrama, E.Rudino-Pinera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.82 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	93.578, 110.339, 96.317, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 17.8

The binding sites of Copper atom in the Crystal Structure of Laccase From Thermus Thermophilus HB27 (pdb code 2xu9). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Crystal Structure of Laccase From Thermus Thermophilus HB27, PDB code: 2xu9:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Crystal Structure of Laccase From Thermus Thermophilus HB27


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 Laccase From Thermus Thermophilus HB27 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1463 b:7.4 occ:0.87 ND1 A:HIS393 2.1 7.8 1.0 SG A:CYS445 2.1 7.8 1.0 ND1 A:HIS450 2.1 8.1 1.0 CE1 A:HIS393 3.0 10.5 1.0 CG A:HIS450 3.1 7.2 1.0 CG A:HIS393 3.1 8.1 1.0 CE1 A:HIS450 3.1 9.6 1.0 CB A:CYS445 3.2 6.8 1.0 CB A:HIS450 3.4 4.6 1.0 SD A:MET455 3.4 6.4 0.4 CB A:HIS393 3.5 7.3 1.0 CE A:MET455 3.7 14.2 0.4 SD A:MET455 3.7 13.2 0.6 CA A:HIS393 4.0 7.6 1.0 CB A:ILE447 4.0 4.5 1.0 CD1 A:ILE447 4.0 8.3 1.0 NE2 A:HIS393 4.1 9.6 1.0 CD2 A:HIS393 4.2 7.4 1.0 NE2 A:HIS450 4.2 9.5 1.0 CD2 A:HIS450 4.2 9.8 1.0 CG1 A:ILE447 4.4 5.5 1.0 O A:ASP392 4.4 7.8 1.0 CE A:MET455 4.5 5.5 0.6 CD A:PRO394 4.6 5.5 1.0 CA A:CYS445 4.6 7.6 1.0 O A:ILE447 4.7 6.3 1.0 N A:ILE447 4.7 7.8 1.0 CG2 A:ILE447 4.8 8.2 1.0 CA A:ILE447 4.9 6.9 1.0 CA A:HIS450 4.9 6.0 1.0 CG A:MET455 4.9 11.2 0.4 C A:HIS393 4.9 8.0 1.0 CD A:PRO394 4.9 7.2 0.0 N A:PRO394 5.0 6.1 1.0 N A:HIS393 5.0 6.6 1.0

Copper binding site 2 out of 4 in the Crystal Structure of Laccase From Thermus Thermophilus HB27


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 Laccase From Thermus Thermophilus HB27 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1464 b:13.2 occ:0.43 NE2 A:HIS398 1.8 9.2 1.0 NE2 A:HIS137 1.9 9.3 0.4 NE2 A:HIS444 1.9 9.0 1.0 O A:OH1483 2.2 19.6 0.6 HO A:OH1483 2.5 23.6 0.6 CE1 A:HIS398 2.6 8.2 1.0 CD2 A:HIS137 2.8 12.0 0.4 CD2 A:HIS398 2.9 9.8 1.0 CD2 A:HIS444 2.9 8.7 1.0 CE1 A:HIS444 2.9 10.7 1.0 CD2 A:HIS137 3.0 6.9 0.6 CE1 A:HIS137 3.0 14.5 0.4 NE2 A:HIS137 3.1 15.9 0.6 CD2 A:HIS396 3.6 8.3 1.0 CU A:CU1482 3.7 19.7 0.1 CD2 A:HIS95 3.7 14.6 1.0 NE2 A:HIS95 3.7 16.6 1.0 ND1 A:HIS398 3.8 8.8 1.0 O A:HOH2549 3.9 19.8 1.0 CG A:HIS398 3.9 7.5 1.0 CG A:HIS137 4.0 11.9 0.4 CG A:HIS137 4.0 11.9 0.6 ND1 A:HIS444 4.0 7.9 1.0 ND1 A:HIS137 4.0 12.4 0.4 CG A:HIS444 4.0 7.1 1.0 NE2 A:HIS396 4.0 10.7 1.0 CE1 A:HIS137 4.1 15.5 0.6 CG A:HIS95 4.4 9.8 1.0 CE1 A:HIS95 4.4 12.0 1.0 CG2 A:VAL442 4.4 9.6 1.0 ND1 A:HIS137 4.6 19.4 0.6 OE2 A:GLU451 4.7 11.1 0.4 ND1 A:HIS95 4.8 12.9 1.0 CG A:HIS396 4.8 5.9 1.0 OE1 A:GLU451 4.9 13.4 0.4 CB A:HIS137 4.9 9.2 0.6 CD A:GLU451 4.9 9.1 0.4

Copper binding site 3 out of 4 in the Crystal Structure of Laccase From Thermus Thermophilus HB27


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 Laccase From Thermus Thermophilus HB27 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1465 b:10.9 occ:0.90 ND1 A:HIS97 1.9 8.7 1.0 NE2 A:HIS135 2.0 7.0 1.0 NE2 A:HIS446 2.1 7.3 1.0 HO A:OH1483 2.5 23.6 0.6 CE1 A:HIS97 2.9 8.9 1.0 CE1 A:HIS446 2.9 6.9 1.0 CE1 A:HIS135 3.0 9.5 1.0 CG A:HIS97 3.0 6.1 1.0 CD2 A:HIS135 3.0 5.8 1.0 CD2 A:HIS446 3.2 9.2 1.0 O A:OH1483 3.3 19.6 0.6 CB A:HIS97 3.4 7.3 1.0 CZ2 A:TRP133 3.6 6.7 1.0 CD2 A:HIS95 3.7 14.6 1.0 CE2 A:TRP133 3.9 5.6 1.0 CU A:CU1482 3.9 19.7 0.1 NE2 A:HIS97 4.0 9.0 1.0 NE1 A:TRP133 4.0 5.1 1.0 ND1 A:HIS135 4.1 8.8 1.0 ND1 A:HIS446 4.1 5.8 1.0 CD2 A:HIS97 4.1 7.5 1.0 CG A:HIS135 4.1 6.7 1.0 CG A:HIS446 4.2 5.4 1.0 NE2 A:HIS95 4.3 16.6 1.0 CH2 A:TRP133 4.3 5.7 1.0 NE2 A:HIS396 4.5 10.7 1.0 CD2 A:HIS396 4.5 8.3 1.0 CA A:HIS97 4.7 6.6 1.0 CD2 A:TRP133 4.8 5.5 1.0 CG A:HIS95 4.9 9.8 1.0 O A:HOH2549 4.9 19.8 1.0

Copper binding site 4 out of 4 in the Crystal Structure of Laccase From Thermus Thermophilus HB27


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 Laccase From Thermus Thermophilus HB27 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1482 b:19.7 occ:0.13 NE2 A:HIS396 1.5 10.7 1.0 NE2 A:HIS95 1.7 16.6 1.0 O A:HOH2138 2.2 31.7 1.0 CE1 A:HIS396 2.5 8.0 1.0 CD2 A:HIS396 2.5 8.3 1.0 CD2 A:HIS95 2.7 14.6 1.0 CE1 A:HIS95 2.8 12.0 1.0 HO A:OH1483 3.0 23.6 0.6 CD2 A:HIS398 3.2 9.8 1.0 ND1 A:HIS97 3.4 8.7 1.0 NE2 A:HIS398 3.4 9.2 1.0 CG A:HIS97 3.5 6.1 1.0 ND1 A:HIS396 3.6 7.3 1.0 O A:HOH2141 3.6 17.6 1.0 CG A:HIS396 3.6 5.9 1.0 CU A:CU1464 3.7 13.2 0.4 CE1 A:HIS97 3.8 8.9 1.0 CG A:HIS95 3.8 9.8 1.0 ND1 A:HIS95 3.8 12.9 1.0 CG A:HIS398 3.9 7.5 1.0 CA A:HIS97 3.9 6.6 1.0 O A:OH1483 3.9 19.6 0.6 CU A:CU1465 3.9 10.9 0.9 CB A:HIS97 4.0 7.3 1.0 CD2 A:HIS97 4.0 7.5 1.0 CE1 A:HIS398 4.1 8.2 1.0 NE2 A:HIS97 4.1 9.0 1.0 N A:GLY98 4.4 8.7 1.0 ND1 A:HIS398 4.4 8.8 1.0 CA A:HIS398 4.5 6.3 1.0 C A:HIS97 4.7 8.4 1.0 CB A:HIS398 4.7 10.1 1.0 NE2 A:HIS444 4.8 9.0 1.0 N A:HIS398 4.8 5.2 1.0 O A:LEU397 4.9 8.2 1.0 N A:HIS97 4.9 6.3 1.0 NE2 A:HIS446 5.0 7.3 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