Chlorine in PDB 3fu9: Melanocarpus Albomyces Laccase Crystal Soaked (20 Min) with 2,6- Dimethoxyphenol

All present enzymatic activity of Melanocarpus Albomyces Laccase Crystal Soaked (20 Min) with 2,6- Dimethoxyphenol:
1.10.3.2;

The structure of Melanocarpus Albomyces Laccase Crystal Soaked (20 Min) with 2,6- Dimethoxyphenol, PDB code: 3fu9 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)	19.61 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	174.120, 60.230, 117.130, 90.00, 98.36, 90.00
R / Rfree (%)	23 / 33

The structure of Melanocarpus Albomyces Laccase Crystal Soaked (20 Min) 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 (20 Min) with 2,6- Dimethoxyphenol (pdb code 3fu9). 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 (20 Min) with 2,6- Dimethoxyphenol, PDB code: 3fu9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Melanocarpus Albomyces Laccase Crystal Soaked (20 Min) 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 (20 Min) with 2,6- Dimethoxyphenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:41.1 occ:1.00 O A:HOH715 2.5 13.0 1.0 O A:HOH563 2.9 5.0 1.0 CU A:CU604 3.0 14.8 1.0 O A:LEU435 3.1 8.9 1.0 CE1 A:HIS434 3.2 4.9 1.0 CA A:HIS436 3.4 7.0 1.0 N A:GLY96 3.5 7.6 1.0 NE2 A:HIS93 3.7 4.2 1.0 CE1 A:HIS93 3.8 5.8 1.0 NE2 A:HIS434 3.9 2.0 1.0 N A:GLY437 3.9 9.2 1.0 C A:LEU435 4.0 9.1 1.0 C A:HIS436 4.0 7.8 1.0 CB A:HIS436 4.1 7.8 1.0 N A:HIS436 4.1 8.3 1.0 CG A:HIS436 4.3 7.0 1.0 ND1 A:HIS434 4.3 9.5 1.0 CA A:GLY96 4.3 8.0 1.0 O A:TRP94 4.4 10.0 1.0 CA A:HIS95 4.4 9.0 1.0 O A:ILE97 4.4 6.8 1.0 CD2 A:HIS436 4.4 8.9 1.0 C A:HIS95 4.5 9.3 1.0 OD1 A:ASP477 4.5 6.5 1.0 N A:ILE97 4.6 6.0 1.0 C A:GLY96 4.7 6.6 1.0 O A:HIS438 4.9 13.1 1.0 ND1 A:HIS436 4.9 11.0 1.0 CG A:ASP477 4.9 7.6 1.0

Chlorine binding site 2 out of 2 in the Melanocarpus Albomyces Laccase Crystal Soaked (20 Min) 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 (20 Min) with 2,6- Dimethoxyphenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl610 b:26.3 occ:1.00 O B:HOH844 2.7 6.6 1.0 CU B:CU604 2.7 15.3 1.0 N B:GLY96 3.0 7.8 1.0 CE1 B:HIS434 3.4 13.1 1.0 NE2 B:HIS434 3.4 11.0 1.0 NE2 B:HIS93 3.5 4.4 1.0 CE1 B:HIS93 3.7 4.5 1.0 CA B:GLY96 3.8 10.6 1.0 CA B:HIS95 3.8 8.0 1.0 O B:LEU435 3.9 4.3 1.0 CA B:HIS436 3.9 3.8 1.0 C B:HIS95 3.9 7.9 1.0 O B:TRP94 4.0 6.0 1.0 CD2 B:HIS436 4.0 9.3 1.0 N B:ILE97 4.3 10.5 1.0 N B:GLY437 4.3 6.1 1.0 C B:GLY96 4.4 10.0 1.0 CG B:HIS436 4.5 2.8 1.0 CG B:HIS95 4.5 11.0 1.0 CB B:HIS95 4.6 8.6 1.0 CB B:HIS436 4.6 4.0 1.0 C B:HIS436 4.6 4.4 1.0 CD2 B:HIS95 4.6 2.0 1.0 ND1 B:HIS434 4.7 12.6 1.0 O B:ILE97 4.7 14.6 1.0 C B:LEU435 4.7 6.2 1.0 NE2 B:HIS436 4.7 2.0 1.0 CD2 B:HIS93 4.8 9.6 1.0 CD2 B:HIS434 4.8 9.7 1.0 N B:HIS436 4.8 2.0 1.0 OD1 B:ASP106 4.8 3.6 1.0 C B:TRP94 4.8 8.9 1.0 N B:HIS95 4.9 8.3 1.0 ND1 B:HIS93 4.9 11.0 1.0 ND1 B:HIS95 5.0 3.5 1.0 C B:ILE97 5.0 12.6 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