Chlorine in PDB 3fu8: Melanocarpus Albomyces Laccase Crystal Soaked (10 Sec) with 2,6- Dimethoxyphenol

All present enzymatic activity of Melanocarpus Albomyces Laccase Crystal Soaked (10 Sec) with 2,6- Dimethoxyphenol:
1.10.3.2;

The structure of Melanocarpus Albomyces Laccase Crystal Soaked (10 Sec) with 2,6- Dimethoxyphenol, PDB code: 3fu8 was solved by J.P.Kallio, N.Hakulinen, J.Rouvinen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.78 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	174.710, 62.370, 125.140, 90.00, 96.36, 90.00
R / Rfree (%)	20.3 / 25.6

The structure of Melanocarpus Albomyces Laccase Crystal Soaked (10 Sec) with 2,6- Dimethoxyphenol also contains other interesting chemical elements:

Copper

(Cu)

8 atoms

The binding sites of Chlorine atom in the Melanocarpus Albomyces Laccase Crystal Soaked (10 Sec) with 2,6- Dimethoxyphenol (pdb code 3fu8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Melanocarpus Albomyces Laccase Crystal Soaked (10 Sec) with 2,6- Dimethoxyphenol, PDB code: 3fu8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Melanocarpus Albomyces Laccase Crystal Soaked (10 Sec) with 2,6- Dimethoxyphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Melanocarpus Albomyces Laccase Crystal Soaked (10 Sec) with 2,6- Dimethoxyphenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:22.9 occ:1.00 O A:HOH794 2.7 20.0 1.0 CU A:CU604 2.8 17.0 1.0 O A:HOH672 3.1 16.6 1.0 N A:GLY96 3.1 14.1 1.0 NE2 A:HIS93 3.4 14.2 1.0 NE2 A:HIS434 3.5 14.7 1.0 CE1 A:HIS93 3.6 14.9 1.0 CE1 A:HIS434 3.7 15.7 1.0 O A:TRP94 3.8 12.4 1.0 CA A:HIS95 3.9 11.6 1.0 CA A:HIS436 3.9 10.2 1.0 CA A:GLY96 4.0 15.9 1.0 C A:HIS95 4.0 12.6 1.0 O A:LEU435 4.0 9.4 1.0 N A:ILE97 4.2 14.6 1.0 O A:ILE97 4.3 15.0 1.0 N A:GLY437 4.3 11.3 1.0 C A:GLY96 4.3 15.9 1.0 CG A:HIS436 4.5 11.1 1.0 CB A:HIS436 4.6 10.6 1.0 C A:HIS436 4.6 10.8 1.0 C A:TRP94 4.7 11.8 1.0 CD2 A:HIS95 4.7 13.7 1.0 CD2 A:HIS93 4.7 11.9 1.0 CG A:HIS95 4.7 10.3 1.0 CD2 A:HIS436 4.7 10.6 1.0 N A:HIS95 4.8 11.6 1.0 N A:HIS436 4.8 10.8 1.0 C A:LEU435 4.8 9.9 1.0 C A:ILE97 4.8 14.0 1.0 CB A:HIS95 4.8 11.3 1.0 ND1 A:HIS93 4.8 11.7 1.0 CD2 A:HIS434 4.8 12.1 1.0 ND1 A:HIS434 4.9 11.9 1.0 OD1 A:ASP106 5.0 15.6 1.0

Chlorine binding site 2 out of 2 in the Melanocarpus Albomyces Laccase Crystal Soaked (10 Sec) with 2,6- Dimethoxyphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Melanocarpus Albomyces Laccase Crystal Soaked (10 Sec) with 2,6- Dimethoxyphenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl610 b:24.2 occ:1.00 O B:HOH1048 2.8 21.9 1.0 CU B:CU604 2.9 17.2 1.0 O B:HOH738 3.0 23.4 1.0 N B:GLY96 3.0 15.2 1.0 CE1 B:HIS434 3.6 12.8 1.0 NE2 B:HIS93 3.6 13.8 1.0 NE2 B:HIS434 3.6 9.9 1.0 CE1 B:HIS93 3.7 13.7 1.0 O B:TRP94 3.8 12.7 1.0 CA B:HIS436 3.9 9.7 1.0 CA B:GLY96 3.9 14.4 1.0 CA B:HIS95 3.9 12.4 1.0 C B:HIS95 3.9 14.3 1.0 O B:LEU435 4.0 9.1 1.0 N B:ILE97 4.1 12.7 1.0 C B:GLY96 4.2 15.3 1.0 N B:GLY437 4.2 9.9 1.0 O B:ILE97 4.2 13.8 1.0 C B:HIS436 4.5 10.2 1.0 CG B:HIS436 4.6 10.5 1.0 CB B:HIS436 4.6 10.4 1.0 C B:TRP94 4.7 12.6 1.0 N B:HIS436 4.7 10.5 1.0 C B:LEU435 4.7 10.8 1.0 N B:HIS95 4.8 12.8 1.0 C B:ILE97 4.8 13.7 1.0 CG B:HIS95 4.8 12.4 1.0 CD2 B:HIS95 4.8 15.9 1.0 CD2 B:HIS93 4.8 14.2 1.0 ND1 B:HIS434 4.9 11.2 1.0 CD2 B:HIS436 4.9 10.5 1.0 OD1 B:ASP106 4.9 14.6 1.0 CB B:HIS95 4.9 11.2 1.0 ND1 B:HIS93 4.9 11.6 1.0 CD2 B:HIS434 4.9 10.8 1.0

J.P.Kallio, S.Auer, J.Janis, M.Andberg, K.Kruus, J.Rouvinen, A.Koivula, N.Hakulinen. Structure-Function Studies of A Melanocarpus Albomyces Laccase Suggest A Pathway For Oxidation of Phenolic Compounds. J.Mol.Biol. V. 392 895 2009.
ISSN: ISSN 0022-2836
PubMed: 19563811
DOI: 10.1016/J.JMB.2009.06.053