Magnesium in PDB 8hfh: Cenp-E Motor Domain in Complex with Amppnp and MG2+

The structure of Cenp-E Motor Domain in Complex with Amppnp and MG2+, PDB code: 8hfh was solved by A.Shibuya, H.Yokoyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.87 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.576, 46.215, 73.718, 90, 90, 90
R / Rfree (%)	16.1 / 20.6

The structure of Cenp-E Motor Domain in Complex with Amppnp and MG2+ also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Magnesium atom in the Cenp-E Motor Domain in Complex with Amppnp and MG2+ (pdb code 8hfh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Cenp-E Motor Domain in Complex with Amppnp and MG2+, PDB code: 8hfh:

Magnesium binding site 1 out of 1 in the Cenp-E Motor Domain in Complex with Amppnp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cenp-E Motor Domain in Complex with Amppnp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:8.0 occ:1.00 O1G A:ANP600 2.0 8.4 1.0 O2B A:ANP600 2.0 8.5 1.0 OG1 A:THR93 2.1 7.3 1.0 O A:HOH797 2.1 6.2 1.0 O A:HOH734 2.1 6.5 1.0 OG A:SER201 2.2 7.2 1.0 CB A:THR93 3.2 8.1 1.0 CB A:SER201 3.2 7.6 1.0 PB A:ANP600 3.2 8.7 1.0 PG A:ANP600 3.2 8.7 1.0 N3B A:ANP600 3.5 8.8 1.0 N A:SER201 3.7 7.6 1.0 N A:THR93 3.9 7.6 1.0 O3G A:ANP600 4.0 8.5 1.0 CA A:SER201 4.1 7.3 1.0 O2A A:ANP600 4.1 9.4 1.0 CA A:THR93 4.1 7.8 1.0 O3A A:ANP600 4.1 8.8 1.0 CG2 A:THR93 4.2 8.9 1.0 OD2 A:ASP235 4.2 9.4 1.0 OD1 A:ASP235 4.3 9.1 1.0 O1B A:ANP600 4.4 7.8 1.0 O2G A:ANP600 4.4 8.4 1.0 NH1 A:ARG189 4.4 9.2 1.0 PA A:ANP600 4.5 9.8 1.0 O1A A:ANP600 4.6 11.0 1.0 CG A:ASP235 4.7 9.4 1.0 CE A:LYS92 4.7 8.7 1.0 O A:ARG199 4.7 11.3 1.0 CB A:LYS92 4.8 8.2 1.0 C A:SER200 4.8 8.0 1.0 ND2 A:ASN197 4.9 8.9 1.0 O A:LEU236 4.9 8.2 1.0 C A:LYS92 5.0 7.8 1.0 NZ A:LYS92 5.0 8.7 1.0

A.Shibuya, A.Suzuki, N.Ogo, J.I.Sawada, A.Asai, H.Yokoyama. Crystal Structure of the Motor Domain of Centromere-Associated Protein E in Complex with A Non-Hydrolyzable Atp Analogue. Febs Lett. 2023.
ISSN: ISSN 0014-5793
PubMed: 36823439
DOI: 10.1002/1873-3468.14602