Magnesium in PDB 4ubf: Hsmcak Motor Domain Complex

The structure of Hsmcak Motor Domain Complex, PDB code: 4ubf was solved by J.P.I.Welburn, S.K.Talapatra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.49 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.306, 245.644, 79.399, 90.00, 95.84, 90.00
R / Rfree (%)	26.4 / 28.6

The binding sites of Magnesium atom in the Hsmcak Motor Domain Complex (pdb code 4ubf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the Hsmcak Motor Domain Complex, PDB code: 4ubf:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in the Hsmcak Motor Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Hsmcak Motor Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:54.7 occ:1.00 O A:HOH704 2.1 30.0 1.0 O1B A:ADP602 2.3 64.5 1.0 OG1 A:THR355 2.8 77.9 1.0 O1A A:ADP602 3.4 85.1 1.0 PB A:ADP602 3.4 60.3 1.0 O2B A:ADP602 3.5 54.6 1.0 CB A:THR355 4.1 68.4 1.0 O3A A:ADP602 4.1 61.9 1.0 PA A:ADP602 4.4 80.4 1.0 O3B A:ADP602 4.7 63.5 1.0 N A:THR355 4.8 54.1 1.0 CG2 A:THR355 4.9 64.0 1.0

Magnesium binding site 2 out of 7 in the Hsmcak Motor Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Hsmcak Motor Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:42.9 occ:1.00 O A:HOH714 2.2 44.8 1.0 O A:HOH708 2.8 56.2 1.0 CD2 A:LEU273 3.3 63.7 1.0 O A:GLU277 3.4 70.8 1.0 NZ A:LYS276 4.2 59.7 1.0 C A:GLU277 4.4 70.4 1.0 CD A:LYS276 4.7 68.8 1.0 CA A:ILE278 4.7 62.1 1.0 CG A:LEU273 4.8 66.7 1.0 N A:ASP279 4.8 65.0 1.0 CD1 A:LEU268 4.9 52.0 1.0 CE A:LYS276 4.9 52.8 1.0 N A:ILE278 4.9 69.3 1.0

Magnesium binding site 3 out of 7 in the Hsmcak Motor Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Hsmcak Motor Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:41.8 occ:1.00 O B:HOH704 2.6 32.4 1.0 O B:HOH720 3.3 36.1 1.0 CD2 B:LEU243 3.6 38.0 1.0 NE B:ARG240 3.9 34.8 1.0 O B:HOH718 3.9 30.0 1.0 SG B:CYS245 3.9 56.8 1.0 N B:ILE283 4.2 30.3 1.0 CA B:SER282 4.3 37.1 1.0 CG B:ARG240 4.3 22.5 1.0 CB B:SER282 4.5 32.4 1.0 NH2 B:ARG240 4.5 39.1 1.0 OG B:SER282 4.6 31.6 1.0 CZ B:ARG240 4.7 32.3 1.0 CD B:ARG240 4.7 27.0 1.0 CG B:LEU243 4.7 34.1 1.0 C B:SER282 4.8 34.9 1.0 O B:ILE283 4.9 35.5 1.0 CB B:ARG240 4.9 33.4 1.0 C B:ILE283 4.9 32.8 1.0

Magnesium binding site 4 out of 7 in the Hsmcak Motor Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Hsmcak Motor Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg603 b:30.0 occ:1.00 O2B B:ADP601 2.1 43.4 1.0 O B:HOH701 2.2 30.0 1.0 O1B B:ADP601 2.3 47.7 1.0 PB B:ADP601 2.4 48.5 1.0 O3A B:ADP601 2.7 43.3 1.0 OG1 B:THR355 2.8 49.3 1.0 O B:HOH717 2.9 44.5 1.0 CB B:THR355 3.2 60.5 1.0 O B:HOH711 3.5 33.5 1.0 PA B:ADP601 3.7 42.5 1.0 O3B B:ADP601 3.9 42.7 1.0 O1A B:ADP601 4.0 43.9 1.0 O2A B:ADP601 4.0 56.2 1.0 N B:THR355 4.1 35.8 1.0 CG2 B:THR355 4.2 51.8 1.0 CA B:THR355 4.3 49.5 1.0 NZ B:LYS354 4.8 64.7 1.0 CB B:LYS354 4.9 34.2 1.0

Magnesium binding site 5 out of 7 in the Hsmcak Motor Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Hsmcak Motor Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:53.2 occ:1.00 O C:HOH707 2.2 30.0 1.0 CG2 C:THR355 2.6 65.3 1.0 O C:SER467 3.3 80.1 1.0 NH1 C:ARG456 3.6 70.4 1.0 O2B C:ADP602 3.6 66.9 1.0 NH2 C:ARG456 3.7 71.6 1.0 CB C:THR355 3.9 69.3 1.0 OD2 C:ASP492 3.9 74.6 1.0 OG1 C:THR355 4.0 69.8 1.0 CZ C:ARG456 4.1 72.3 1.0 C C:SER467 4.3 85.5 1.0 CA C:SER468 4.5 80.2 1.0 CG C:ASP492 4.8 72.7 1.0 N C:SER468 4.8 91.5 1.0 OD1 C:ASP492 4.9 68.9 1.0 PB C:ADP602 4.9 69.1 1.0 O C:LEU493 4.9 58.2 1.0 O1B C:ADP602 4.9 63.0 1.0

Magnesium binding site 6 out of 7 in the Hsmcak Motor Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Hsmcak Motor Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:78.6 occ:1.00 O C:HOH713 3.7 30.0 1.0 CD1 C:TRP230 5.0 94.2 1.0

Magnesium binding site 7 out of 7 in the Hsmcak Motor Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Hsmcak Motor Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg601 b:49.1 occ:1.00 O D:HOH710 2.1 61.0 1.0 O D:HOH701 2.1 58.1 1.0 O1B D:ADP602 2.3 57.0 1.0 O2B D:ADP602 2.6 62.9 1.0 PB D:ADP602 2.9 70.9 1.0 O D:HOH712 3.0 59.1 1.0 CG2 D:THR355 3.7 58.9 1.0 CE D:LYS354 3.8 49.9 1.0 CB D:SER468 3.8 76.3 1.0 O3B D:ADP602 3.9 58.9 1.0 OD2 D:ASP492 4.0 75.2 1.0 O D:LEU493 4.1 53.0 1.0 O3A D:ADP602 4.2 49.4 1.0 CB D:LYS354 4.2 52.3 1.0 NZ D:LYS354 4.3 56.6 1.0 CA D:SER468 4.5 70.4 1.0 CD D:LYS354 4.5 37.9 1.0 OD1 D:ASP492 4.7 72.5 1.0 N D:THR355 4.7 69.7 1.0 CG D:ASP492 4.8 72.8 1.0 O D:SER468 4.8 64.5 1.0 OG D:SER468 4.8 76.3 1.0 N D:GLY495 4.8 66.5 1.0 CB D:THR355 4.9 59.8 1.0 N D:GLY351 4.9 58.2 1.0 OG1 D:THR355 4.9 55.3 1.0 CG D:LYS354 5.0 54.2 1.0

J.P.I.Welburn, S.K.Talapatra. Mcak Motor Domain Complex To Be Published.