Chlorine in PDB 3qpk: Probing Oxygen Channels in Melanocarpus Albomyces Laccase

All present enzymatic activity of Probing Oxygen Channels in Melanocarpus Albomyces Laccase:
1.10.3.2;

The structure of Probing Oxygen Channels in Melanocarpus Albomyces Laccase, PDB code: 3qpk 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)	43.83 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	174.150, 60.200, 114.440, 90.00, 99.79, 90.00
R / Rfree (%)	21.4 / 27

The structure of Probing Oxygen Channels in Melanocarpus Albomyces Laccase also contains other interesting chemical elements:

Xenon	(Xe)	6 atoms
Copper	(Cu)	8 atoms

The binding sites of Chlorine atom in the Probing Oxygen Channels in Melanocarpus Albomyces Laccase (pdb code 3qpk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Probing Oxygen Channels in Melanocarpus Albomyces Laccase, PDB code: 3qpk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Probing Oxygen Channels in Melanocarpus Albomyces Laccase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Probing Oxygen Channels in Melanocarpus Albomyces Laccase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:23.3 occ:1.00 O A:HOH1108 2.8 18.2 1.0 CU A:CU604 2.9 17.4 1.0 O A:HOH1232 3.0 25.8 1.0 O A:HOH649 3.0 15.6 1.0 N A:GLY96 3.2 15.2 1.0 NE2 A:HIS434 3.3 10.6 1.0 NE2 A:HIS93 3.4 14.9 1.0 CE1 A:HIS93 3.4 13.6 1.0 CE1 A:HIS434 3.5 15.0 1.0 CA A:HIS436 3.7 11.1 1.0 O A:LEU435 3.9 8.9 1.0 O A:TRP94 4.0 12.6 1.0 CA A:GLY96 4.1 18.5 1.0 CA A:HIS95 4.1 10.1 1.0 C A:HIS95 4.1 14.6 1.0 N A:GLY437 4.1 14.6 1.0 O A:ILE97 4.2 13.4 1.0 N A:ILE97 4.3 12.8 1.0 CG A:HIS436 4.4 8.6 1.0 C A:GLY96 4.4 17.0 1.0 CB A:HIS436 4.4 7.2 1.0 C A:HIS436 4.5 13.8 1.0 N A:HIS436 4.6 7.2 1.0 C A:LEU435 4.6 9.7 1.0 CD2 A:HIS434 4.6 10.4 1.0 CD2 A:HIS436 4.7 10.0 1.0 ND1 A:HIS93 4.7 12.3 1.0 CD2 A:HIS93 4.7 11.9 1.0 ND1 A:HIS436 4.8 12.2 1.0 ND1 A:HIS434 4.8 12.5 1.0 C A:ILE97 4.8 12.1 1.0 C A:TRP94 4.8 12.0 1.0 OD1 A:ASP106 4.9 13.7 1.0 N A:HIS95 4.9 11.7 1.0 CG A:HIS95 5.0 14.7 1.0

Chlorine binding site 2 out of 2 in the Probing Oxygen Channels in Melanocarpus Albomyces Laccase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Probing Oxygen Channels in Melanocarpus Albomyces Laccase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl610 b:25.6 occ:1.00 CU B:CU604 2.6 15.8 1.0 O B:HOH1053 2.9 14.9 1.0 O B:HOH754 2.9 18.6 1.0 N B:GLY96 3.0 14.1 1.0 NE2 B:HIS93 3.0 15.6 1.0 CE1 B:HIS93 3.3 11.8 1.0 NE2 B:HIS434 3.3 14.1 1.0 CE1 B:HIS434 3.4 10.2 1.0 CA B:HIS95 3.8 12.4 1.0 CA B:GLY96 3.8 15.3 1.0 O B:TRP94 3.8 14.8 1.0 C B:HIS95 3.9 13.5 1.0 CA B:HIS436 3.9 10.4 1.0 O B:LEU435 4.1 10.3 1.0 N B:ILE97 4.2 13.2 1.0 O B:ILE97 4.2 14.6 1.0 CD2 B:HIS93 4.3 14.0 1.0 C B:GLY96 4.3 14.7 1.0 CG B:HIS436 4.3 11.5 1.0 N B:GLY437 4.4 9.4 1.0 CD2 B:HIS436 4.5 9.9 1.0 CB B:HIS436 4.5 8.8 1.0 ND1 B:HIS93 4.6 9.9 1.0 C B:TRP94 4.6 13.1 1.0 CD2 B:HIS95 4.6 13.4 1.0 CD2 B:HIS434 4.6 8.6 1.0 N B:HIS95 4.7 11.2 1.0 C B:HIS436 4.7 11.1 1.0 N B:HIS436 4.7 9.6 1.0 O B:HOH824 4.7 14.5 1.0 CG B:HIS95 4.7 12.4 1.0 ND1 B:HIS434 4.7 11.1 1.0 C B:LEU435 4.8 9.9 1.0 ND1 B:HIS436 4.8 13.3 1.0 CB B:HIS95 4.8 13.1 1.0 OD1 B:ASP106 4.8 13.3 1.0 C B:ILE97 4.9 15.8 1.0 O B:HOH855 4.9 20.7 1.0 NE2 B:HIS436 5.0 14.6 1.0

J.P.Kallio, J.Rouvinen, K.Kruus, N.Hakulinen. Probing the Dioxygen Route in Melanocarpus Albomyces Laccase with Pressurized Xenon Gas. Biochemistry V. 50 4396 2011.
ISSN: ISSN 0006-2960
PubMed: 21524088
DOI: 10.1021/BI200486B