Mercury in PDB 5gx5: Luciferin-Regenerating Enzyme Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 26 Mgy (23RD Measurement)

The structure of Luciferin-Regenerating Enzyme Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 26 Mgy (23RD Measurement), PDB code: 5gx5 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)	42.30 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.594, 77.119, 84.604, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 23.4

The structure of Luciferin-Regenerating Enzyme Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 26 Mgy (23RD 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 26 Mgy (23RD Measurement) (pdb code 5gx5). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Luciferin-Regenerating Enzyme Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 26 Mgy (23RD Measurement), PDB code: 5gx5:

Mercury binding site 1 out of 1 in the Luciferin-Regenerating Enzyme Collected with Serial Synchrotron Rotational Crystallography with Accumulated Dose of 26 Mgy (23RD 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 26 Mgy (23RD Measurement) within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:59.0 occ:0.58 CE3 A:TRP84 3.4 21.9 1.0 CD2 A:PHE39 3.6 20.2 1.0 CD2 A:LEU82 3.7 26.7 1.0 CD2 A:TRP84 3.7 20.5 1.0 CG A:PHE39 3.8 18.8 1.0 CB A:TRP84 3.8 21.3 1.0 CD1 A:ILE61 3.9 21.1 1.0 CG A:TRP84 4.0 21.0 1.0 CB A:PHE39 4.0 19.6 1.0 SG A:CYS52 4.1 23.8 1.0 CB A:LEU82 4.1 23.8 1.0 CE2 A:PHE39 4.2 20.7 1.0 CZ3 A:TRP84 4.2 21.9 1.0 CD1 A:PHE39 4.4 20.1 1.0 CB A:CYS52 4.4 22.6 1.0 CG A:LEU82 4.5 26.7 1.0 CD1 A:PHE71 4.5 20.9 1.0 CZ A:PHE39 4.8 20.5 1.0 CE2 A:TRP84 4.8 20.7 1.0 CG1 A:VAL73 4.8 20.2 1.0 CE1 A:PHE39 4.9 20.4 1.0 CG A:PHE71 4.9 19.8 1.0 CE1 A:PHE71 4.9 22.4 1.0 CG1 A:ILE61 4.9 20.4 1.0 CD1 A:TRP84 5.0 20.6 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