Magnesium in PDB 3h4s: Structure of the Complex of A Mitotic Kinesin with Its Calcium Binding Regulator

The structure of Structure of the Complex of A Mitotic Kinesin with Its Calcium Binding Regulator, PDB code: 3h4s was solved by M.V.Vinogradova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.88 / 2.40
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	118.800, 118.800, 142.100, 90.00, 90.00, 120.00
R / Rfree (%)	22.3 / 22.8

The structure of Structure of the Complex of A Mitotic Kinesin with Its Calcium Binding Regulator also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the Structure of the Complex of A Mitotic Kinesin with Its Calcium Binding Regulator (pdb code 3h4s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of the Complex of A Mitotic Kinesin with Its Calcium Binding Regulator, PDB code: 3h4s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the Complex of A Mitotic Kinesin with Its Calcium Binding Regulator


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Complex of A Mitotic Kinesin with Its Calcium Binding Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:24.8 occ:1.00 O A:HOH85 2.2 17.4 1.0 O A:HOH86 2.2 22.1 1.0 O A:HOH84 2.2 20.7 1.0 O3B A:ADP600 2.2 34.5 1.0 OG1 A:THR977 2.4 20.4 1.0 O A:HOH87 2.5 37.8 1.0 O1B A:ADP600 3.2 30.1 1.0 PB A:ADP600 3.3 30.2 1.0 CB A:THR977 3.3 16.3 1.0 N A:THR977 4.0 21.0 1.0 OD2 A:ASP1116 4.0 29.4 1.0 O A:HOH88 4.2 35.8 1.0 O2A A:ADP600 4.2 30.2 1.0 CA A:THR977 4.2 18.3 1.0 OD1 A:ASP1116 4.2 29.9 1.0 O3A A:ADP600 4.2 24.4 1.0 O A:HOH83 4.3 30.4 1.0 CG2 A:THR977 4.4 12.1 1.0 O A:HOH4 4.5 19.6 1.0 O2B A:ADP600 4.5 24.3 1.0 CG A:ASP1116 4.5 31.2 1.0 PA A:ADP600 4.6 22.1 1.0 O A:HOH89 4.6 42.7 1.0 O1A A:ADP600 4.7 34.0 1.0 O A:HOH90 4.7 27.3 1.0 CB A:LYS976 4.9 23.0 1.0 NZ A:LYS976 4.9 12.0 1.0 CE A:LYS976 4.9 19.7 1.0

Magnesium binding site 2 out of 2 in the Structure of the Complex of A Mitotic Kinesin with Its Calcium Binding Regulator


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Complex of A Mitotic Kinesin with Its Calcium Binding Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:46.2 occ:1.00 OG A:SER1113 2.5 16.7 1.0 O A:VAL964 2.6 23.9 1.0 OG A:SER1174 2.7 28.8 1.0 CB A:SER1113 3.1 16.9 1.0 CD A:LYS1111 3.3 22.9 1.0 C A:VAL964 3.4 18.8 1.0 N A:SER1113 3.5 21.0 1.0 CG A:LYS1111 3.5 19.4 1.0 O A:LYS1111 3.5 22.2 1.0 N A:VAL964 3.8 20.7 1.0 CB A:SER1174 3.8 22.4 1.0 CB A:LYS1111 3.8 19.6 1.0 C A:LYS1111 3.9 20.2 1.0 CA A:SER1113 3.9 21.0 1.0 ND2 A:ASN963 4.1 49.4 1.0 N A:CYS965 4.2 18.6 1.0 CB A:CYS965 4.2 29.6 1.0 CA A:VAL964 4.2 14.6 1.0 C A:LEU1112 4.3 23.4 1.0 CA A:CYS965 4.3 20.8 1.0 N A:LEU1112 4.4 17.7 1.0 C A:ASN963 4.5 25.2 1.0 CA A:LYS1111 4.5 17.8 1.0 CA A:LEU1112 4.5 19.9 1.0 OD1 A:ASP1173 4.6 26.3 1.0 CE A:MET1171 4.7 32.3 1.0 CG A:ASN963 4.7 36.1 1.0 O A:HOH109 4.7 55.8 1.0 CE A:LYS1111 4.8 16.7 1.0 CA A:ASN963 4.8 26.3 1.0 CB A:ASN963 4.9 31.0 1.0 C A:SER1113 5.0 23.9 1.0

M.V.Vinogradova, G.G.Malanina, A.S.Reddy, R.J.Fletterick. Structure of the Complex of A Mitotic Kinesin with Its Calcium Binding Regulator. Proc.Natl.Acad.Sci.Usa V. 106 8175 2009.
ISSN: ISSN 0027-8424
PubMed: 19416847
DOI: 10.1073/PNAS.0811131106