Mercury in PDB 5gtq: Luciferin-Regenerating Enzyme at Cryogenic Temperature

The structure of Luciferin-Regenerating Enzyme at Cryogenic Temperature, PDB code: 5gtq was solved by K.Yamashita, T.Murai, M.Yamamoto, K.Gomi, N.Kajiyama, H.Kato, T.Nakatsu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.83 / 1.13
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.275, 76.696, 83.980, 90.00, 90.00, 90.00
R / Rfree (%)	11.9 / 13.9

The structure of Luciferin-Regenerating Enzyme at Cryogenic Temperature also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Mercury atom in the Luciferin-Regenerating Enzyme at Cryogenic Temperature (pdb code 5gtq). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Luciferin-Regenerating Enzyme at Cryogenic Temperature, PDB code: 5gtq:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Luciferin-Regenerating Enzyme at Cryogenic Temperature


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Luciferin-Regenerating Enzyme at Cryogenic Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:8.5 occ:0.68 HG A:HG402 2.3 11.0 0.1 SG A:CYS52 2.4 11.3 1.0 CB A:CYS52 3.1 10.1 1.0 CD2 A:TRP84 3.2 8.0 1.0 CG A:TRP84 3.3 8.5 1.0 CE3 A:TRP84 3.5 9.4 1.0 CD2 A:PHE39 3.5 7.8 1.0 CB A:TRP84 3.6 8.8 1.0 CE2 A:TRP84 3.8 8.3 1.0 CD1 A:TRP84 3.8 8.1 1.0 CG A:PHE39 4.0 6.3 1.0 CB A:PHE39 4.0 7.1 1.0 CD2 A:LEU82 4.1 14.2 1.0 NE1 A:TRP84 4.1 8.2 1.0 CG A:PRO91 4.2 12.3 0.5 CE2 A:PHE39 4.2 8.3 1.0 CZ3 A:TRP84 4.3 9.5 1.0 CZ2 A:TRP84 4.5 8.5 1.0 CA A:CYS52 4.6 7.8 1.0 CB A:PRO91 4.6 12.5 0.6 CB A:PRO91 4.6 12.6 0.5 CH2 A:TRP84 4.7 9.1 1.0 CD A:PRO91 4.7 11.9 0.6 CD A:PRO91 4.7 12.0 0.5 N A:PRO91 4.8 11.3 1.0 CA A:PRO91 4.8 10.7 0.6 CA A:PRO91 4.8 10.8 0.5 CB A:LEU82 4.9 11.4 1.0 CD1 A:PHE39 5.0 7.6 1.0 CG A:LEU82 5.0 14.2 1.0 C A:CYS52 5.0 7.0 1.0

Mercury binding site 2 out of 2 in the Luciferin-Regenerating Enzyme at Cryogenic Temperature


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Luciferin-Regenerating Enzyme at Cryogenic Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:11.0 occ:0.15 HG A:HG401 2.3 8.5 0.7 CE3 A:TRP84 3.5 9.4 1.0 CB A:TRP84 3.6 8.8 1.0 CB A:LEU82 3.7 11.4 1.0 CD2 A:LEU82 3.7 14.2 1.0 CD1 A:ILE61 3.8 8.6 1.0 CD2 A:TRP84 3.9 8.0 1.0 CD1 A:PHE71 3.9 8.4 1.0 CG A:TRP84 4.0 8.5 1.0 CD2 A:PHE39 4.1 7.8 1.0 CG A:PHE39 4.2 6.3 1.0 CG A:PHE71 4.2 7.4 1.0 CB A:PHE71 4.3 8.0 1.0 CG A:LEU82 4.3 14.2 1.0 CG1 A:VAL73 4.4 7.7 1.0 CE2 A:PHE39 4.4 8.3 1.0 CZ3 A:TRP84 4.5 9.5 1.0 CB A:PHE39 4.5 7.1 1.0 CD1 A:PHE39 4.6 7.6 1.0 CE1 A:PHE71 4.6 9.9 1.0 CG1 A:ILE61 4.7 8.0 1.0 SG A:CYS52 4.7 11.3 1.0 CZ A:PHE39 4.8 8.1 1.0 CE1 A:PHE39 4.8 8.0 1.0 O A:LEU82 4.9 9.0 1.0 CA A:LEU82 5.0 9.0 1.0

K.Yamashita, K.Yamashita, T.Murai, M.Yamamoto, K.Gomi, N.Kajiyama, H.Kato, T.Nakatsu. N/A N/A.