Magnesium in PDB 3c4j: Abc Protein Artp in Complex with Atp-Gamma-S

All present enzymatic activity of Abc Protein Artp in Complex with Atp-Gamma-S:
3.6.3.21;

The structure of Abc Protein Artp in Complex with Atp-Gamma-S, PDB code: 3c4j was solved by P.F.Thaben, V.Eckey, F.Scheffel, W.Saenger, E.Schneider, A.Vahedi-Faridi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.70 / 2.33
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.155, 83.437, 69.569, 90.00, 107.50, 90.00
R / Rfree (%)	22.1 / 27.6

The binding sites of Magnesium atom in the Abc Protein Artp in Complex with Atp-Gamma-S (pdb code 3c4j). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Abc Protein Artp in Complex with Atp-Gamma-S, PDB code: 3c4j:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Abc Protein Artp in Complex with Atp-Gamma-S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Abc Protein Artp in Complex with Atp-Gamma-S within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:41.9 occ:1.00 S1G A:AGS602 1.4 45.3 0.7 O A:HOH723 2.0 34.7 1.0 OG A:SER41 2.2 30.7 1.0 O A:HOH605 2.2 28.5 1.0 O1B A:AGS602 2.3 40.4 1.0 O B:HOH606 2.4 39.2 1.0 PG A:AGS602 3.2 45.4 0.7 CB A:SER41 3.3 30.5 1.0 PB A:AGS602 3.5 40.6 1.0 OD2 B:ASP135 3.5 47.1 1.0 O3B A:AGS602 3.6 43.1 1.0 O1A A:AGS602 3.9 42.0 1.0 O3G A:AGS602 3.9 45.5 0.7 OE2 A:GLU162 4.0 36.2 1.0 OD1 A:ASP161 4.1 27.9 1.0 O2G A:AGS602 4.2 46.0 0.7 O A:HOH619 4.2 41.2 1.0 OD2 A:ASP161 4.2 28.4 1.0 N A:SER41 4.3 30.3 1.0 CA A:SER41 4.3 30.5 1.0 CG B:ASP135 4.5 46.0 1.0 O2B A:AGS602 4.5 40.7 1.0 O3A A:AGS602 4.5 40.9 1.0 CG A:ASP161 4.6 29.2 1.0 PA A:AGS602 4.7 41.5 1.0 O A:HOH640 4.8 38.7 1.0 O A:HOH685 4.9 58.4 1.0 O A:HOH665 4.9 44.1 1.0

Magnesium binding site 2 out of 2 in the Abc Protein Artp in Complex with Atp-Gamma-S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Abc Protein Artp in Complex with Atp-Gamma-S within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg604 b:37.3 occ:1.00 S1G B:AGS601 2.1 50.9 0.7 O B:HOH607 2.1 38.4 1.0 O B:HOH609 2.1 31.3 1.0 OG B:SER41 2.1 33.4 1.0 O2B B:AGS601 2.3 48.5 1.0 O B:HOH608 2.5 30.3 1.0 CB B:SER41 3.3 32.4 1.0 PB B:AGS601 3.6 47.5 1.0 PG B:AGS601 3.6 51.8 0.7 O3B B:AGS601 3.7 50.5 1.0 OE2 B:GLU162 3.9 37.5 1.0 OD1 B:ASP161 4.0 32.8 1.0 N B:SER41 4.2 32.6 1.0 O2A B:AGS601 4.2 51.4 1.0 OD2 B:ASP161 4.2 34.1 1.0 CA B:SER41 4.3 32.8 1.0 O3A B:AGS601 4.3 50.5 1.0 O B:HOH622 4.3 41.9 1.0 O2G B:AGS601 4.4 52.1 0.7 O3G B:AGS601 4.5 51.5 0.7 CG B:ASP161 4.5 33.9 1.0 O B:HOH627 4.7 50.7 1.0 O1B B:AGS601 4.8 49.3 1.0 CD B:GLU162 4.8 36.4 1.0 O B:HOH631 4.8 45.5 1.0 PA B:AGS601 4.9 51.2 1.0

P.F.Thaben, V.Eckey, F.Scheffel, C.Allings, J.Behlke, W.Saenger, E.Schneider, A.Vahedi-Faridi. Crystal Structures of the Atp-Binding Cassette (Abc) Protein Artp From Geobacillus Stearothermophilus in Complexes with Nucleotides and Nucleotide Analogs Reveal An Intermediate Semiclosed Dimer in the Post Hydrolyses State and An Asymmetry in the Dimerisation Region To Be Published.