Magnesium in PDB 8ecr: KRAS4B Wild Type 1-185 Gdp-MG2+ Complex

All present enzymatic activity of KRAS4B Wild Type 1-185 Gdp-MG2+ Complex:
3.6.5.2;

The structure of KRAS4B Wild Type 1-185 Gdp-MG2+ Complex, PDB code: 8ecr was solved by K.L.Rossman, L.Betts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.16 / 1.42
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	84.313, 84.313, 41.733, 90, 90, 120
R / Rfree (%)	14.7 / 16.9

The binding sites of Magnesium atom in the KRAS4B Wild Type 1-185 Gdp-MG2+ Complex (pdb code 8ecr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the KRAS4B Wild Type 1-185 Gdp-MG2+ Complex, PDB code: 8ecr:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the KRAS4B Wild Type 1-185 Gdp-MG2+ Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of KRAS4B Wild Type 1-185 Gdp-MG2+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:13.7 occ:1.00 O A:HOH453 2.1 13.5 1.0 O A:HOH436 2.1 13.7 1.0 O A:HOH432 2.1 12.7 1.0 O2B A:GDP302 2.1 14.1 1.0 O A:HOH440 2.1 13.5 1.0 OG A:SER17 2.2 11.9 1.0 HA A:PRO34 3.3 22.4 1.0 HB2 A:SER17 3.3 15.0 1.0 CB A:SER17 3.3 12.4 1.0 HD2 A:TYR32 3.4 22.5 1.0 PB A:GDP302 3.4 11.4 1.0 H A:SER17 3.4 12.8 1.0 O3B A:GDP302 3.5 12.4 1.0 HB3 A:SER17 4.0 15.0 1.0 N A:SER17 4.0 10.6 1.0 HB2 A:LYS16 4.0 16.2 1.0 OD2 A:ASP57 4.1 16.6 1.0 O2A A:GDP302 4.1 11.3 1.0 CD2 A:TYR32 4.2 18.6 1.0 HE2 A:TYR32 4.2 24.2 1.0 HE2 A:LYS16 4.2 16.1 1.0 CA A:PRO34 4.2 18.5 1.0 CA A:SER17 4.2 12.5 1.0 O A:PRO34 4.3 17.2 1.0 OD1 A:ASP57 4.3 19.3 1.0 HB2 A:ALA59 4.3 24.8 0.7 O A:ASP33 4.3 15.5 1.0 O3A A:GDP302 4.4 13.5 1.0 O1B A:GDP302 4.4 11.3 1.0 O A:ILE36 4.5 12.9 1.0 HA A:SER17 4.5 15.2 1.0 C A:PRO34 4.5 17.6 1.0 PA A:GDP302 4.6 13.1 1.0 CG A:ASP57 4.6 19.0 1.0 CE2 A:TYR32 4.6 20.1 1.0 O A:THR58 4.6 16.1 1.0 O1A A:GDP302 4.6 13.7 1.0 HA A:ALA59 4.6 21.5 0.5 O A:TYR32 4.7 15.3 1.0 HB3 A:TYR32 4.7 21.6 1.0 HZ1 A:LYS16 4.7 18.8 1.0 HB3 A:PRO34 4.8 25.6 1.0 HZ3 A:LYS16 4.9 18.8 1.0 CB A:LYS16 5.0 13.4 1.0 HB1 A:ALA59 5.0 24.8 0.4

Magnesium binding site 2 out of 2 in the KRAS4B Wild Type 1-185 Gdp-MG2+ Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of KRAS4B Wild Type 1-185 Gdp-MG2+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:15.0 occ:1.00 O B:HOH420 2.0 14.1 1.0 O3B B:GDP302 2.1 15.9 1.0 O B:HOH458 2.1 17.1 1.0 O B:HOH419 2.1 14.4 1.0 OG B:SER17 2.2 13.6 1.0 O B:HOH443 2.2 16.9 1.0 HB2 B:SER17 3.2 19.1 1.0 CB B:SER17 3.3 15.8 1.0 HA B:PRO34 3.3 31.6 1.0 PB B:GDP302 3.4 14.0 1.0 H B:SER17 3.4 17.4 1.0 O2B B:GDP302 3.6 15.2 1.0 HD2 B:TYR32 3.6 26.5 1.0 HB3 B:SER17 3.9 19.1 1.0 N B:SER17 4.0 14.3 1.0 HB2 B:LYS16 4.0 20.0 1.0 O2A B:GDP302 4.1 12.3 1.0 OD2 B:ASP57 4.1 18.8 1.0 HE2 B:LYS16 4.2 19.3 1.0 CA B:SER17 4.2 14.0 1.0 CA B:PRO34 4.2 26.2 1.0 OD1 B:ASP57 4.3 19.1 1.0 HB2 B:ALA59 4.4 37.2 1.0 O1B B:GDP302 4.4 13.4 1.0 O B:ASP33 4.4 19.9 1.0 O B:THR58 4.4 16.9 1.0 O B:PRO34 4.4 26.5 1.0 O3A B:GDP302 4.4 13.4 1.0 HA B:ALA59 4.4 30.9 1.0 HA B:SER17 4.5 16.9 1.0 CD2 B:TYR32 4.5 21.9 1.0 O B:ILE36 4.5 18.0 1.0 HB3 B:TYR32 4.5 23.5 1.0 PA B:GDP302 4.6 13.9 1.0 CG B:ASP57 4.6 20.2 1.0 HZ1 B:LYS16 4.6 18.3 1.0 O B:TYR32 4.6 23.4 1.0 C B:PRO34 4.7 26.0 1.0 O1A B:GDP302 4.7 15.3 1.0 HB3 B:PRO34 4.8 36.2 1.0 HZ3 B:LYS16 4.8 18.3 1.0 HE2 B:TYR32 4.9 28.2 1.0 HB1 B:ALA59 5.0 37.2 1.0 CB B:LYS16 5.0 16.5 1.0 CE B:LYS16 5.0 15.9 1.0 CB B:ALA59 5.0 30.9 1.0

K.L.Rossman, L.Betts. Fast-Cycling Mutants of Kras Exhibit Nucleotide Affinity-Linked Conformations To Be Published.