Copper in PDB 3pps: Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria

All present enzymatic activity of Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria:
1.10.3.2;

The structure of Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria, PDB code: 3pps was solved by J.P.Kallio, J.Rouvinen, N.Hakulinen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.65 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.360, 178.950, 118.130, 90.00, 90.26, 90.00
R / Rfree (%)	18.2 / 22.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Copper atom in the Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria (pdb code 3pps). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 16 binding sites of Copper where determined in the Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria, PDB code: 3pps:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 16 in the Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria


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 An Ascomycete Fungal Laccase From Thielavia Arenaria within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu601 b:31.4 occ:1.00 ND1 A:HIS509 2.1 17.8 1.0 ND1 A:HIS432 2.1 5.2 1.0 SG A:CYS504 2.1 16.1 1.0 CG A:HIS509 2.9 10.3 1.0 CE1 A:HIS432 2.9 8.7 1.0 CE1 A:HIS509 3.1 12.2 1.0 CG A:HIS432 3.1 10.3 1.0 CB A:HIS509 3.2 15.4 1.0 CB A:CYS504 3.3 14.9 1.0 CB A:HIS432 3.6 11.4 1.0 CD1 A:LEU514 3.9 10.0 1.0 CA A:HIS432 4.0 9.1 1.0 CD1 A:ILE506 4.0 5.7 1.0 CD2 A:HIS509 4.1 6.9 1.0 NE2 A:HIS432 4.1 13.4 1.0 NE2 A:HIS509 4.1 11.7 1.0 CB A:ILE506 4.2 10.0 1.0 CD2 A:HIS432 4.2 11.7 1.0 CD A:PRO433 4.4 13.8 1.0 O A:PRO431 4.4 6.6 1.0 CG1 A:ILE506 4.4 6.2 1.0 CA A:CYS504 4.7 7.7 1.0 CA A:HIS509 4.7 12.7 1.0 CG2 A:ILE506 4.9 10.9 1.0 N A:HIS432 4.9 19.0 1.0 C A:HIS432 5.0 9.7 1.0

Copper binding site 2 out of 16 in the Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria


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 An Ascomycete Fungal Laccase From Thielavia Arenaria within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:11.6 occ:1.00 NE2 A:HIS503 2.1 15.8 1.0 NE2 A:HIS141 2.1 16.4 1.0 NE2 A:HIS437 2.1 16.2 1.0 O1 A:OXY620 2.4 5.0 1.0 O2 A:OXY620 2.4 8.2 1.0 CE1 A:HIS503 3.0 12.3 1.0 CE1 A:HIS437 3.1 13.8 1.0 CE1 A:HIS141 3.1 15.2 1.0 CD2 A:HIS141 3.1 13.2 1.0 CD2 A:HIS503 3.2 15.4 1.0 CD2 A:HIS437 3.2 17.1 1.0 CU A:CU604 4.1 28.0 1.0 ND1 A:HIS503 4.1 11.0 1.0 CD2 A:HIS435 4.1 18.7 1.0 ND1 A:HIS437 4.2 14.4 1.0 ND1 A:HIS141 4.2 20.2 1.0 CG A:HIS503 4.2 12.9 1.0 CD1 A:LEU501 4.3 15.9 1.0 CG A:HIS141 4.3 16.1 1.0 CG A:HIS437 4.3 13.7 1.0 NE2 A:HIS94 4.6 19.5 1.0 CD2 A:HIS94 4.6 15.5 1.0 CU A:CU603 4.8 14.4 1.0 NE2 A:HIS435 4.8 13.3 1.0 CB A:LEU501 4.8 16.1 1.0 CE1 A:HIS94 5.0 17.5 1.0

Copper binding site 3 out of 16 in the Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria


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 An Ascomycete Fungal Laccase From Thielavia Arenaria within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu603 b:14.4 occ:1.00 NE2 A:HIS139 2.0 14.2 1.0 ND1 A:HIS96 2.0 19.5 1.0 NE2 A:HIS505 2.1 14.2 1.0 O1 A:OXY620 2.5 5.0 1.0 O2 A:OXY620 2.6 8.2 1.0 CE1 A:HIS139 2.9 19.7 1.0 CE1 A:HIS96 3.0 18.1 1.0 CD2 A:HIS139 3.0 16.2 1.0 CD2 A:HIS505 3.1 15.6 1.0 CE1 A:HIS505 3.1 6.6 1.0 CG A:HIS96 3.1 14.2 1.0 CB A:HIS96 3.5 13.3 1.0 CZ2 A:TRP137 3.8 12.8 1.0 CD2 A:HIS94 3.9 15.5 1.0 ND1 A:HIS139 4.0 8.7 1.0 CG A:HIS139 4.1 10.0 1.0 NE2 A:HIS96 4.1 11.9 1.0 ND1 A:HIS505 4.2 7.6 1.0 CD2 A:HIS96 4.2 13.7 1.0 CG A:HIS505 4.2 12.6 1.0 CU A:CU604 4.2 28.0 1.0 CE2 A:TRP137 4.2 11.8 1.0 CH2 A:TRP137 4.3 8.6 1.0 NE2 A:HIS94 4.5 19.5 1.0 CA A:HIS96 4.5 14.3 1.0 NE1 A:TRP137 4.6 10.6 1.0 CD2 A:HIS435 4.8 18.7 1.0 NE2 A:HIS435 4.8 13.3 1.0 CU A:CU602 4.8 11.6 1.0

Copper binding site 4 out of 16 in the Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria


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 An Ascomycete Fungal Laccase From Thielavia Arenaria within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu604 b:28.0 occ:1.00 NE2 A:HIS94 2.0 19.5 1.0 NE2 A:HIS435 2.2 13.3 1.0 O2 A:OXY620 2.6 8.2 1.0 CE1 A:HIS94 2.8 17.5 1.0 CD2 A:HIS435 3.0 18.7 1.0 CD2 A:HIS94 3.0 15.5 1.0 O A:HOH727 3.1 12.6 1.0 NE2 A:HIS437 3.2 16.2 1.0 CE1 A:HIS435 3.3 20.8 1.0 CD2 A:HIS437 3.3 17.1 1.0 CE1 A:HIS437 3.7 13.8 1.0 O1 A:OXY620 3.8 5.0 1.0 CG A:HIS437 3.8 13.7 1.0 CA A:HIS96 3.9 14.3 1.0 ND1 A:HIS96 3.9 19.5 1.0 ND1 A:HIS94 3.9 12.5 1.0 ND1 A:HIS437 4.0 14.4 1.0 CG A:HIS94 4.1 10.8 1.0 CU A:CU602 4.1 11.6 1.0 CG A:HIS96 4.1 14.2 1.0 N A:GLY97 4.1 18.0 1.0 CG A:HIS435 4.2 19.2 1.0 CU A:CU603 4.2 14.4 1.0 ND1 A:HIS435 4.3 21.2 1.0 CB A:HIS96 4.4 13.3 1.0 CE1 A:HIS96 4.4 18.1 1.0 C A:HIS96 4.6 14.8 1.0 CD2 A:HIS96 4.6 13.7 1.0 CA A:HIS437 4.7 11.3 1.0 NE2 A:HIS96 4.7 11.9 1.0 CB A:HIS437 4.8 12.7 1.0 O A:LEU436 4.8 13.8 1.0 N A:HIS96 4.8 19.6 1.0 O A:HOH731 4.9 6.6 1.0

Copper binding site 5 out of 16 in the Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria


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 An Ascomycete Fungal Laccase From Thielavia Arenaria within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu601 b:21.5 occ:1.00 ND1 B:HIS432 2.0 8.6 1.0 ND1 B:HIS509 2.1 9.2 1.0 SG B:CYS504 2.1 16.2 1.0 CE1 B:HIS432 2.9 7.3 1.0 CG B:HIS509 2.9 10.5 1.0 CG B:HIS432 3.0 10.7 1.0 CE1 B:HIS509 3.1 10.3 1.0 CB B:HIS509 3.2 13.6 1.0 CB B:CYS504 3.3 10.8 1.0 CB B:HIS432 3.5 12.6 1.0 CD1 B:LEU514 3.8 12.1 1.0 CD1 B:ILE506 3.8 8.5 1.0 CA B:HIS432 3.9 11.5 1.0 NE2 B:HIS432 4.0 7.4 1.0 CD2 B:HIS509 4.1 12.4 1.0 CD2 B:HIS432 4.1 9.3 1.0 NE2 B:HIS509 4.2 12.7 1.0 CB B:ILE506 4.2 11.7 1.0 O B:PRO431 4.3 4.8 1.0 CD B:PRO433 4.3 12.5 1.0 CG1 B:ILE506 4.4 9.5 1.0 CA B:HIS509 4.7 12.7 1.0 CA B:CYS504 4.7 12.9 1.0 N B:HIS432 4.8 15.6 1.0 C B:HIS432 4.9 9.5 1.0 C B:PRO431 4.9 15.2 1.0 CG B:LEU514 5.0 13.8 1.0

Copper binding site 6 out of 16 in the Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria


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 An Ascomycete Fungal Laccase From Thielavia Arenaria within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu602 b:17.9 occ:1.00 NE2 B:HIS141 2.0 12.9 1.0 NE2 B:HIS437 2.1 12.3 1.0 NE2 B:HIS503 2.3 14.3 1.0 O B:HOH592 2.4 4.0 1.0 CE1 B:HIS437 2.8 13.1 1.0 CE1 B:HIS141 2.9 11.6 1.0 CD2 B:HIS141 2.9 14.5 1.0 CE1 B:HIS503 3.1 16.4 1.0 CD2 B:HIS437 3.3 12.7 1.0 CD2 B:HIS503 3.4 13.3 1.0 CD2 B:HIS435 4.0 15.4 1.0 ND1 B:HIS141 4.0 10.7 1.0 CU B:CU604 4.0 26.1 1.0 CG B:HIS141 4.1 15.0 1.0 ND1 B:HIS437 4.1 9.8 1.0 ND1 B:HIS503 4.3 18.1 1.0 CG B:HIS437 4.3 10.2 1.0 NE2 B:HIS94 4.4 9.2 1.0 CD2 B:HIS94 4.4 9.6 1.0 CG B:HIS503 4.4 11.9 1.0 NE2 B:HIS435 4.6 13.8 1.0 CU B:CU603 4.7 13.5 1.0 CE1 B:HIS139 4.7 9.9 1.0 CD1 B:LEU501 4.7 8.9 1.0 CE1 B:HIS94 4.8 10.8 1.0 CG B:HIS94 4.8 14.8 1.0

Copper binding site 7 out of 16 in the Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria


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 An Ascomycete Fungal Laccase From Thielavia Arenaria within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu603 b:13.5 occ:1.00 NE2 B:HIS505 2.0 11.3 1.0 NE2 B:HIS139 2.1 8.5 1.0 ND1 B:HIS96 2.1 16.1 1.0 O B:HOH592 2.4 4.0 1.0 CE1 B:HIS139 2.8 9.9 1.0 CE1 B:HIS96 2.9 21.1 1.0 CD2 B:HIS505 2.9 11.5 1.0 CE1 B:HIS505 3.0 9.7 1.0 CG B:HIS96 3.2 9.7 1.0 CD2 B:HIS139 3.2 9.6 1.0 CZ2 B:TRP137 3.6 15.2 1.0 CB B:HIS96 3.7 13.3 1.0 ND1 B:HIS139 4.0 10.9 1.0 ND1 B:HIS505 4.1 8.9 1.0 CH2 B:TRP137 4.1 10.9 1.0 CG B:HIS505 4.1 8.5 1.0 NE2 B:HIS96 4.1 12.4 1.0 CD2 B:HIS94 4.1 9.6 1.0 CE2 B:TRP137 4.2 13.8 1.0 CG B:HIS139 4.2 8.0 1.0 CD2 B:HIS96 4.2 18.0 1.0 CD2 B:HIS435 4.3 15.4 1.0 CU B:CU604 4.3 26.1 1.0 NE2 B:HIS435 4.4 13.8 1.0 NE1 B:TRP137 4.6 8.5 1.0 CA B:HIS96 4.6 10.5 1.0 NE2 B:HIS94 4.6 9.2 1.0 CU B:CU602 4.7 17.9 1.0 CZ3 B:TRP137 4.9 11.6 1.0 CG B:HIS435 5.0 13.2 1.0

Copper binding site 8 out of 16 in the Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu604 b:26.1 occ:1.00 NE2 B:HIS94 1.9 9.2 1.0 NE2 B:HIS435 2.0 13.8 1.0 O B:HOH611 2.6 11.9 1.0 CE1 B:HIS94 2.8 10.8 1.0 CD2 B:HIS435 2.9 15.4 1.0 CD2 B:HIS94 2.9 9.6 1.0 CE1 B:HIS435 3.1 15.0 1.0 NE2 B:HIS437 3.3 12.3 1.0 CE1 B:HIS437 3.4 13.1 1.0 CD2 B:HIS437 3.5 12.7 1.0 O B:HOH592 3.6 4.0 1.0 ND1 B:HIS437 3.6 9.8 1.0 CG B:HIS437 3.7 10.2 1.0 ND1 B:HIS96 3.8 16.1 1.0 ND1 B:HIS94 3.9 11.6 1.0 CA B:HIS96 4.0 10.5 1.0 CG B:HIS94 4.0 14.8 1.0 CU B:CU602 4.0 17.9 1.0 CG B:HIS435 4.1 13.2 1.0 ND1 B:HIS435 4.1 16.0 1.0 N B:GLY97 4.1 13.1 1.0 CG B:HIS96 4.2 9.7 1.0 CU B:CU603 4.3 13.5 1.0 CE1 B:HIS96 4.3 21.1 1.0 CB B:HIS96 4.5 13.3 1.0 CA B:HIS437 4.5 8.2 1.0 C B:HIS96 4.6 10.2 1.0 CB B:HIS437 4.6 10.7 1.0 O B:LEU436 4.7 20.1 1.0 O B:HOH653 4.7 11.8 1.0 CD2 B:HIS96 4.8 18.0 1.0 N B:HIS96 4.9 13.4 1.0 NE2 B:HIS96 4.9 12.4 1.0 N B:HIS437 4.9 11.6 1.0

Copper binding site 9 out of 16 in the Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu601 b:21.1 occ:1.00 ND1 C:HIS509 2.0 11.6 1.0 SG C:CYS504 2.1 15.2 1.0 ND1 C:HIS432 2.2 9.6 1.0 CG C:HIS509 2.7 10.3 1.0 CB C:HIS509 3.0 13.5 1.0 CE1 C:HIS509 3.0 13.4 1.0 CE1 C:HIS432 3.1 8.6 1.0 CB C:CYS504 3.2 12.1 1.0 CG C:HIS432 3.3 10.4 1.0 CB C:HIS432 3.7 9.9 1.0 CD1 C:ILE506 3.7 8.0 1.0 CD1 C:LEU514 3.9 10.9 1.0 CD2 C:HIS509 3.9 10.3 1.0 NE2 C:HIS509 4.0 11.1 1.0 CB C:ILE506 4.0 12.8 1.0 CA C:HIS432 4.0 9.3 1.0 CG1 C:ILE506 4.2 8.5 1.0 NE2 C:HIS432 4.2 7.8 1.0 CD C:PRO433 4.3 11.0 1.0 CD2 C:HIS432 4.4 9.1 1.0 O C:PRO431 4.5 7.4 1.0 CA C:HIS509 4.5 13.0 1.0 CA C:CYS504 4.6 12.8 1.0 CG2 C:ILE506 4.8 6.0 1.0 O C:ILE506 5.0 11.6 1.0

Copper binding site 10 out of 16 in the Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu602 b:21.6 occ:1.00 NE2 C:HIS437 1.8 13.9 1.0 NE2 C:HIS141 2.1 14.9 1.0 NE2 C:HIS503 2.2 18.8 1.0 O C:HOH593 2.5 7.4 1.0 CE1 C:HIS437 2.6 13.3 1.0 CD2 C:HIS437 3.0 13.2 1.0 CE1 C:HIS141 3.1 12.0 1.0 CD2 C:HIS141 3.1 12.9 1.0 CE1 C:HIS503 3.1 16.7 1.0 CD2 C:HIS503 3.1 13.5 1.0 ND1 C:HIS437 3.8 9.4 1.0 CU C:CU604 3.8 30.3 1.0 CD2 C:HIS435 3.9 17.0 1.0 CG C:HIS437 4.0 9.8 1.0 ND1 C:HIS141 4.2 13.6 1.0 ND1 C:HIS503 4.2 16.6 1.0 CG C:HIS141 4.2 17.3 1.0 CG C:HIS503 4.3 10.1 1.0 NE2 C:HIS94 4.4 7.7 1.0 CD1 C:LEU501 4.5 10.8 1.0 NE2 C:HIS435 4.5 12.0 1.0 CD2 C:HIS94 4.6 10.8 1.0 CB C:LEU501 4.7 12.3 1.0 CU C:CU603 4.8 18.6 1.0 CE1 C:HIS94 4.8 10.5 1.0 CG C:HIS94 5.0 15.0 1.0

J.P.Kallio, C.Gasparetti, M.Andberg, H.Boer, A.Koivula, K.Kruus, J.Rouvinen, N.Hakulinen. Crystal Structure of An Ascomycete Fungal Laccase From Thielavia Arenaria--Common Structural Features of Asco-Laccases. Febs J. V. 278 2283 2011.
ISSN: ISSN 1742-464X
PubMed: 21535408
DOI: 10.1111/J.1742-4658.2011.08146.X