Mercury in PDB 1wdk: Fatty Acid Beta-Oxidation Multienzyme Complex From Pseudomonas Fragi, Form I (NATIVE2)

All present enzymatic activity of Fatty Acid Beta-Oxidation Multienzyme Complex From Pseudomonas Fragi, Form I (NATIVE2):
1.1.1.35; 2.3.1.16; 4.2.1.17; 5.1.2.3; 5.3.3.8;

The structure of Fatty Acid Beta-Oxidation Multienzyme Complex From Pseudomonas Fragi, Form I (NATIVE2), PDB code: 1wdk was solved by M.Ishikawa, D.Tsuchiya, T.Oyama, Y.Tsunaka, K.Morikawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	180.705, 94.578, 160.001, 90.00, 111.45, 90.00
R / Rfree (%)	20.3 / 24.4

The structure of Fatty Acid Beta-Oxidation Multienzyme Complex From Pseudomonas Fragi, Form I (NATIVE2) also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Mercury atom in the Fatty Acid Beta-Oxidation Multienzyme Complex From Pseudomonas Fragi, Form I (NATIVE2) (pdb code 1wdk). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Fatty Acid Beta-Oxidation Multienzyme Complex From Pseudomonas Fragi, Form I (NATIVE2), PDB code: 1wdk:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Fatty Acid Beta-Oxidation Multienzyme Complex From Pseudomonas Fragi, Form I (NATIVE2)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Fatty Acid Beta-Oxidation Multienzyme Complex From Pseudomonas Fragi, Form I (NATIVE2) within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg392 b:87.6 occ:1.00 SG C:CYS95 3.3 23.2 1.0 C3P C:ACO3001 3.4 70.2 1.0 C2P C:ACO3001 3.5 70.5 1.0 S1P C:ACO3001 3.5 71.7 1.0 CE2 C:PHE349 3.5 15.5 1.0 CE C:MET151 3.7 22.9 1.0 CH3 C:ACO3001 3.7 69.3 1.0 CZ C:PHE349 3.7 16.1 1.0 CG C:MET151 3.8 20.6 1.0 C C:ACO3001 3.8 71.0 1.0 SD C:MET151 4.0 24.9 1.0 CD2 C:PHE349 4.1 16.2 1.0 NE2 C:HIS347 4.5 25.5 1.0 CE1 C:PHE349 4.5 19.5 1.0 O C:ACO3001 4.6 72.0 1.0 CD2 C:HIS347 4.7 25.2 1.0 CB C:CYS95 4.8 20.4 1.0 CB C:MET151 4.8 21.7 1.0 N4P C:ACO3001 4.9 70.6 1.0 CG C:PHE349 4.9 18.1 1.0 CE C:MET130 5.0 30.4 1.0 N C:GLY379 5.0 16.8 1.0

Mercury binding site 2 out of 2 in the Fatty Acid Beta-Oxidation Multienzyme Complex From Pseudomonas Fragi, Form I (NATIVE2)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Fatty Acid Beta-Oxidation Multienzyme Complex From Pseudomonas Fragi, Form I (NATIVE2) within 5.0Å range: probe atom residue distance (Å) B Occ D:Hg1 b:75.7 occ:1.00 S1P D:ACO4001 3.1 74.2 1.0 SG D:CYS95 3.2 23.6 1.0 CE2 D:PHE349 3.5 20.4 1.0 CE D:MET151 3.6 23.6 1.0 C3P D:ACO4001 3.6 74.2 1.0 CG D:MET151 3.8 21.4 1.0 CZ D:PHE349 3.8 20.4 1.0 C2P D:ACO4001 3.9 74.4 1.0 SD D:MET151 4.1 27.0 1.0 CD2 D:PHE349 4.1 19.6 1.0 C D:ACO4001 4.2 73.3 1.0 CH3 D:ACO4001 4.3 72.5 1.0 NE2 D:HIS347 4.5 23.4 1.0 CE1 D:PHE349 4.6 21.8 1.0 CB D:CYS95 4.8 19.6 1.0 CD2 D:HIS347 4.8 23.6 1.0 O5P D:ACO4001 4.9 77.1 1.0 CB D:MET151 4.9 23.2 1.0 CG D:PHE349 4.9 19.9 1.0 N D:GLY379 4.9 16.2 1.0 N4P D:ACO4001 4.9 74.7 1.0 CE D:MET130 4.9 31.8 1.0 CA D:GLY379 5.0 16.2 1.0

M.Ishikawa, D.Tsuchiya, T.Oyama, Y.Tsunaka, K.Morikawa. Structural Basis For Channelling Mechanism of A Fatty Acid Beta-Oxidation Multienzyme Complex Embo J. V. 23 2745 2004.
ISSN: ISSN 0261-4189
PubMed: 15229654
DOI: 10.1038/SJ.EMBOJ.7600298