Mercury in PDB 5gx4: Luciferin-Regenerating Enzyme Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 14 Mgy (12TH Measurement)

The structure of Luciferin-Regenerating Enzyme Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 14 Mgy (12TH Measurement), PDB code: 5gx4 was solved by K.Hasegawa, K.Yamashita, T.Murai, N.Nuemket, K.Hirata, G.Ueno, H.Ago, T.Nakatsu, T.Kumasaka, M.Yamamoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.22 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.510, 76.962, 84.433, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 19.2

The structure of Luciferin-Regenerating Enzyme Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 14 Mgy (12TH Measurement) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Mercury atom in the Luciferin-Regenerating Enzyme Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 14 Mgy (12TH Measurement) (pdb code 5gx4). 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 Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 14 Mgy (12TH Measurement), PDB code: 5gx4:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Luciferin-Regenerating Enzyme Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 14 Mgy (12TH Measurement)


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 Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 14 Mgy (12TH Measurement) within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:35.9 occ:0.51 HG A:HG402 1.9 15.3 0.2 SG A:CYS52 2.9 17.1 1.0 CD2 A:TRP84 3.3 13.8 1.0 CB A:CYS52 3.3 16.0 1.0 CG A:TRP84 3.4 14.3 1.0 CE3 A:TRP84 3.4 15.2 1.0 CD2 A:PHE39 3.5 13.6 1.0 CB A:TRP84 3.6 14.7 1.0 CD2 A:LEU82 3.9 20.0 1.0 CG A:PHE39 3.9 12.1 1.0 CB A:PHE39 4.0 13.0 1.0 CE2 A:TRP84 4.0 14.1 1.0 CD1 A:TRP84 4.1 13.9 1.0 CE2 A:PHE39 4.2 14.1 1.0 CZ3 A:TRP84 4.2 15.3 1.0 NE1 A:TRP84 4.4 14.0 1.0 CG A:PRO91 4.6 18.1 1.0 CB A:LEU82 4.6 17.2 1.0 CG A:LEU82 4.7 20.1 1.0 CZ2 A:TRP84 4.8 14.3 1.0 CH2 A:TRP84 4.8 14.9 1.0 CA A:CYS52 4.8 13.6 1.0 CD1 A:PHE39 4.9 13.4 1.0 CD1 A:ILE61 4.9 14.4 1.0 CB A:PRO91 4.9 18.4 1.0

Mercury binding site 2 out of 2 in the Luciferin-Regenerating Enzyme Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 14 Mgy (12TH Measurement)


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 Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 14 Mgy (12TH Measurement) within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:15.3 occ:0.20 HG A:HG401 1.9 35.9 0.5 CD1 A:ILE61 3.5 14.4 1.0 CE3 A:TRP84 3.6 15.2 1.0 CD2 A:LEU82 3.7 20.0 1.0 CD2 A:PHE39 3.8 13.6 1.0 CB A:LEU82 3.8 17.2 1.0 CG A:PHE39 3.8 12.1 1.0 CB A:TRP84 4.0 14.7 1.0 CD2 A:TRP84 4.1 13.8 1.0 CD1 A:PHE71 4.1 14.3 1.0 CE2 A:PHE39 4.2 14.1 1.0 CB A:PHE39 4.2 13.0 1.0 CD1 A:PHE39 4.3 13.4 1.0 CG A:TRP84 4.3 14.3 1.0 CG1 A:VAL73 4.3 13.5 1.0 CG A:LEU82 4.4 20.1 1.0 CG A:PHE71 4.4 13.2 1.0 CB A:PHE71 4.4 13.8 1.0 CZ3 A:TRP84 4.4 15.3 1.0 CG1 A:ILE61 4.5 13.8 1.0 CZ A:PHE39 4.6 13.9 1.0 CE1 A:PHE39 4.6 13.8 1.0 SG A:CYS52 4.7 17.1 1.0 CE1 A:PHE71 4.7 15.8 1.0

K.Hasegawa, K.Yamashita, T.Murai, N.Nuemket, K.Hirata, G.Ueno, H.Ago, T.Nakatsu, T.Kumasaka, M.Yamamoto. Development of A Dose-Limiting Data Collection Strategy For Serial Synchrotron Rotation Crystallography J Synchrotron Radiat V. 24 29 2017.
ISSN: ESSN 1600-5775
PubMed: 28009544
DOI: 10.1107/S1600577516016362