Magnesium in PDB 7lff: Crystal Structure of the Candida Albicans Kinesin-8 Motor Domain

The structure of Crystal Structure of the Candida Albicans Kinesin-8 Motor Domain, PDB code: 7lff was solved by J.S.Allingham, B.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.91 / 2.01
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	43.99, 52.68, 86.75, 86.9, 80, 89.92
R / Rfree (%)	23.2 / 26.8

The binding sites of Magnesium atom in the Crystal Structure of the Candida Albicans Kinesin-8 Motor Domain (pdb code 7lff). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Candida Albicans Kinesin-8 Motor Domain, PDB code: 7lff:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Candida Albicans Kinesin-8 Motor Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Candida Albicans Kinesin-8 Motor Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:49.0 occ:1.00 O A:HOH643 2.0 46.8 1.0 O A:HOH634 2.0 45.3 1.0 OG1 A:THR192 2.0 41.9 1.0 O2B A:ADP501 2.2 39.4 1.0 O A:HOH625 2.2 42.6 1.0 O A:HOH626 2.2 45.3 1.0 CB A:THR192 3.2 42.2 1.0 PB A:ADP501 3.2 47.8 1.0 O1B A:ADP501 3.3 47.0 1.0 N A:THR192 3.8 36.5 1.0 OD2 A:ASP333 3.9 43.3 1.0 O A:HOH638 3.9 49.5 1.0 O1A A:ADP501 4.0 43.8 1.0 O A:HOH647 4.1 49.8 1.0 CA A:THR192 4.1 41.4 1.0 O A:HOH658 4.1 47.2 1.0 OD1 A:ASP333 4.2 46.8 1.0 CG2 A:THR192 4.3 43.9 1.0 O3B A:ADP501 4.3 43.9 1.0 O3A A:ADP501 4.4 44.5 1.0 O A:HOH629 4.4 51.1 1.0 O A:HOH654 4.4 46.7 1.0 CG A:ASP333 4.5 44.3 1.0 PA A:ADP501 4.5 40.6 1.0 O2A A:ADP501 4.7 40.6 1.0 O A:HOH621 4.7 48.2 1.0 CB A:LYS191 4.7 42.2 1.0 NH2 A:ARG289 4.7 44.2 1.0 CE A:LYS191 4.8 46.2 1.0 NZ A:LYS191 4.9 45.7 1.0 C A:LYS191 4.9 36.1 1.0 NH1 A:ARG289 5.0 48.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Candida Albicans Kinesin-8 Motor Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Candida Albicans Kinesin-8 Motor Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:40.8 occ:1.00 OG1 B:THR192 2.0 40.4 1.0 O B:HOH667 2.0 36.4 1.0 O B:HOH609 2.1 36.8 1.0 O B:HOH632 2.1 36.1 1.0 O B:HOH622 2.1 43.5 1.0 O2B B:ADP501 2.4 37.0 1.0 CB B:THR192 3.2 41.7 1.0 PB B:ADP501 3.5 42.4 1.0 O3B B:ADP501 3.5 42.5 1.0 O B:HOH647 3.8 47.0 1.0 OD2 B:ASP333 3.9 42.6 1.0 N B:THR192 3.9 35.3 1.0 O2A B:ADP501 4.0 36.1 1.0 O B:HOH670 4.1 50.2 1.0 CA B:THR192 4.1 39.4 1.0 CG2 B:THR192 4.2 38.9 1.0 O B:HOH653 4.2 46.7 1.0 OD1 B:ASP333 4.2 40.7 1.0 O B:HOH638 4.3 35.9 1.0 O B:HOH643 4.4 48.4 1.0 CG B:ASP333 4.5 41.1 1.0 O1B B:ADP501 4.5 41.4 1.0 O3A B:ADP501 4.5 37.1 1.0 PA B:ADP501 4.6 37.5 1.0 O1A B:ADP501 4.7 39.6 1.0 NH1 B:ARG289 4.8 38.3 1.0 CE B:LYS191 4.8 46.4 1.0 CB B:LYS191 4.9 37.0 1.0 NH2 B:ARG289 4.9 42.9 1.0

B.Hunter, M.P.M.H.Benoit, A.B.Asenjo, C.Doubleday, D.Trofimova, C.Frazer, I.Shoukat, H.Sosa, J.S.Allingham. Kinesin-8-Specific Loop-2 Controls the Dual Activities of the Motor Domain According to Tubulin Protofilament Shape. Nat Commun V. 13 4198 2022.
ISSN: ESSN 2041-1723
PubMed: 35859148
DOI: 10.1038/S41467-022-31794-3