Magnesium in PDB 6qri: Structure of Rabbit G-Actin in Complex with Chivosazole A

The structure of Structure of Rabbit G-Actin in Complex with Chivosazole A, PDB code: 6qri was solved by S.Schneider, S.Wang, S.Zahler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.16 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.540, 78.619, 77.055, 90.00, 115.11, 90.00
R / Rfree (%)	23.6 / 26.8

The binding sites of Magnesium atom in the Structure of Rabbit G-Actin in Complex with Chivosazole A (pdb code 6qri). 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 Rabbit G-Actin in Complex with Chivosazole A, PDB code: 6qri:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Rabbit G-Actin in Complex with Chivosazole A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Rabbit G-Actin in Complex with Chivosazole A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:20.4 occ:1.00 O B:HOH502 1.8 18.2 1.0 O B:HOH511 2.0 41.1 1.0 O2B B:ATP401 2.2 40.7 1.0 O B:HOH505 2.2 37.7 1.0 O B:HOH501 2.4 28.0 1.0 O2G B:ATP401 2.6 36.2 1.0 PB B:ATP401 3.5 40.7 1.0 PG B:ATP401 3.5 38.0 1.0 O3G B:ATP401 3.7 32.8 1.0 O3B B:ATP401 3.9 44.7 1.0 CA B:GLY13 4.1 45.8 1.0 OE1 B:GLN137 4.1 41.1 1.0 O3A B:ATP401 4.3 35.8 1.0 NZ B:LYS18 4.4 38.2 1.0 CD B:GLN137 4.4 41.3 1.0 OD1 B:ASP11 4.6 45.8 1.0 O1B B:ATP401 4.7 43.5 1.0 NE2 B:GLN137 4.7 41.1 1.0 O1A B:ATP401 4.7 36.5 1.0 OD2 B:ASP154 4.7 48.5 1.0 OD2 B:ASP11 4.7 42.2 1.0 O B:ASN12 4.8 46.7 1.0 PA B:ATP401 4.8 38.8 1.0 N B:GLY13 4.9 46.4 1.0 OD1 B:ASP154 4.9 55.7 1.0 O1G B:ATP401 4.9 42.5 1.0 O2A B:ATP401 5.0 37.1 1.0

Magnesium binding site 2 out of 2 in the Structure of Rabbit G-Actin in Complex with Chivosazole A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Rabbit G-Actin in Complex with Chivosazole A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:18.0 occ:1.00 O A:HOH516 1.8 22.1 1.0 O A:HOH518 2.1 28.0 1.0 O A:HOH508 2.1 40.1 1.0 O2B A:ATP401 2.2 35.3 1.0 O A:HOH510 2.3 34.8 1.0 O A:HOH513 2.4 34.9 1.0 O3G A:ATP401 2.6 32.6 1.0 PB A:ATP401 3.5 35.4 1.0 PG A:ATP401 3.6 35.5 1.0 O3B A:ATP401 3.9 36.7 1.0 O1G A:ATP401 3.9 33.4 1.0 O A:HOH502 4.1 40.8 1.0 O3A A:ATP401 4.1 37.2 1.0 OE1 A:GLN137 4.2 33.4 1.0 O1A A:ATP401 4.2 33.3 1.0 NZ A:LYS18 4.4 39.7 1.0 CA A:GLY13 4.4 40.0 1.0 OD2 A:ASP154 4.4 42.4 1.0 CD A:GLN137 4.5 34.4 1.0 O A:HOH509 4.6 37.8 1.0 OD1 A:ASP11 4.6 40.9 1.0 OD2 A:ASP11 4.6 40.5 1.0 OD1 A:ASP154 4.6 45.2 1.0 PA A:ATP401 4.8 35.4 1.0 O1B A:ATP401 4.8 29.6 1.0 NE2 A:GLN137 4.8 35.1 1.0 CG A:ASP154 5.0 42.5 1.0 O2G A:ATP401 5.0 41.6 1.0

S.Wang, F.A.Gegenfurtner, A.H.Crevenna, C.Ziegenhain, Z.Kliesmete, W.Enard, R.Muller, A.M.Vollmar, S.Schneider, S.Zahler. Chivosazole A Modulates Protein-Protein Interactions of Actin. J.Nat.Prod. V. 82 1961 2019.
ISSN: ESSN 1520-6025
PubMed: 31260301
DOI: 10.1021/ACS.JNATPROD.9B00335