Magnesium in PDB 7ny8: Affimer K69 - Kras Protein Complex

The structure of Affimer K69 - Kras Protein Complex, PDB code: 7ny8 was solved by A.L.Turner, C.H.Trinh, K.Z.Haza, A.Rao, H.L.Martin, C.Tiede, T.A.Edwards, M.J.Mcpherson, D.C.Tomlinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.53 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.008, 168.775, 39.653, 90, 92.7, 90
R / Rfree (%)	15.4 / 21

The binding sites of Magnesium atom in the Affimer K69 - Kras Protein Complex (pdb code 7ny8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Affimer K69 - Kras Protein Complex, PDB code: 7ny8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Affimer K69 - Kras Protein Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Affimer K69 - Kras Protein Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:20.8 occ:1.00 O2B A:GDP201 2.1 18.9 1.0 OG A:SER17 2.1 18.3 1.0 O A:HOH304 2.1 19.1 1.0 O A:HOH325 2.1 18.9 1.0 O A:HOH338 2.1 19.8 1.0 O A:HOH337 2.1 21.3 1.0 CB A:SER17 3.2 19.1 1.0 PB A:GDP201 3.3 19.9 1.0 O3B A:GDP201 3.6 19.3 1.0 N A:SER17 4.0 18.6 1.0 CA A:SER17 4.1 18.8 1.0 OD2 A:ASP57 4.1 21.6 1.0 OD1 A:ASP57 4.2 19.5 1.0 O2A A:GDP201 4.2 19.3 1.0 O A:ASP33 4.3 25.4 1.0 CD1 A:TYR32 4.3 25.1 1.0 O A:PRO34 4.3 25.8 1.0 O1B A:GDP201 4.4 19.6 1.0 O3A A:GDP201 4.4 20.1 1.0 CA A:PRO34 4.4 28.3 1.0 O A:ILE36 4.5 22.3 1.0 O A:THR58 4.5 22.7 1.0 CG A:ASP57 4.6 19.0 1.0 PA A:GDP201 4.6 19.1 1.0 C A:PRO34 4.6 26.8 1.0 CE1 A:TYR32 4.8 26.2 1.0 O1A A:GDP201 4.8 19.5 1.0 CB A:LYS16 4.9 18.4 1.0 NZ A:LYS16 4.9 21.4 1.0 O A:TYR32 4.9 25.1 1.0 CE A:LYS16 5.0 20.3 1.0

Magnesium binding site 2 out of 2 in the Affimer K69 - Kras Protein Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Affimer K69 - Kras Protein Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:34.0 occ:1.00 O3B B:GDP201 2.1 31.1 1.0 OG B:SER17 2.1 32.4 1.0 O B:HOH306 2.1 27.6 1.0 O B:HOH307 2.1 33.4 1.0 O B:HOH326 2.1 34.7 1.0 O B:HOH304 2.1 35.8 1.0 CB B:SER17 3.2 32.0 1.0 PB B:GDP201 3.3 35.9 1.0 O1B B:GDP201 3.6 35.6 1.0 O1A B:GDP201 4.0 32.7 1.0 OD2 B:ASP57 4.1 33.4 1.0 N B:SER17 4.1 30.4 1.0 OD1 B:ASP57 4.1 32.7 1.0 CA B:SER17 4.2 30.9 1.0 O B:PRO34 4.2 47.4 1.0 O B:ASP33 4.3 40.6 1.0 CD1 B:TYR32 4.3 42.7 1.0 CA B:PRO34 4.3 47.1 1.0 O3A B:GDP201 4.4 34.0 1.0 O2B B:GDP201 4.4 34.0 1.0 O B:ILE36 4.4 33.9 1.0 CG B:ASP57 4.5 32.8 1.0 O B:THR58 4.5 31.3 1.0 C B:PRO34 4.6 44.2 1.0 PA B:GDP201 4.6 35.0 1.0 CE1 B:TYR32 4.7 41.8 1.0 O2A B:GDP201 4.9 36.5 1.0 O B:TYR32 4.9 38.3 1.0

K.Z.Haza, H.L.Martin, A.Rao, A.L.Turner, S.E.Saunders, B.Petersen, C.Tiede, K.Tipping, A.A.Tang, M.Ajayi, T.Taylor, M.Harvey, K.M.Fishwick, T.L.Adams, T.G.Gaule, C.H.Trinh, M.Johnson, A.L.Breeze, T.A.Edwards, M.J.Mcpherson, D.C.Tomlinson. Ras-Inhibiting Biologics Identify and Probe Druggable Pockets Including An Sii-Alpha 3 Allosteric Site. To Be Published.