Magnesium in PDB 7t1f: Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B

All present enzymatic activity of Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B:
3.6.5.2;

The structure of Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B, PDB code: 7t1f was solved by Y.Zhang, C.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.29 / 2.20
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	70.11, 70.11, 337.61, 90, 90, 120
R / Rfree (%)	21.1 / 25

The binding sites of Magnesium atom in the Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B (pdb code 7t1f). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B, PDB code: 7t1f:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:14.2 occ:1.00 O A:HOH320 2.1 24.6 1.0 O2B A:GDP201 2.2 23.8 1.0 O A:HOH332 2.2 27.7 1.0 OG A:SER17 2.4 30.3 1.0 O A:HOH308 2.5 25.8 1.0 O A:HOH338 2.5 37.9 1.0 CB A:SER17 3.3 26.5 1.0 PB A:GDP201 3.4 24.7 1.0 O3B A:GDP201 3.5 24.3 1.0 N A:SER17 4.1 27.2 1.0 O2A A:GDP201 4.1 40.2 1.0 OD2 A:ASP57 4.1 48.0 1.0 CA A:SER17 4.3 30.4 1.0 CA A:PRO34 4.3 29.4 1.0 O1B A:GDP201 4.3 31.9 1.0 OD1 A:ASP57 4.3 41.9 1.0 CD2 A:TYR32 4.3 29.3 1.0 O A:ASP33 4.4 34.5 1.0 O A:PRO34 4.4 31.2 1.0 O3A A:GDP201 4.5 32.4 1.0 O A:THR58 4.6 26.2 1.0 CG A:ASP57 4.6 37.2 1.0 O A:ILE36 4.6 37.3 1.0 PA A:GDP201 4.7 40.3 1.0 C A:PRO34 4.7 33.2 1.0 O1A A:GDP201 4.7 45.5 1.0 CE2 A:TYR32 4.9 36.7 1.0 O A:HOH313 4.9 26.2 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:15.1 occ:1.00 O B:HOH304 2.0 25.2 1.0 O B:HOH311 2.2 22.0 1.0 O3B B:GDP201 2.3 57.7 1.0 OG B:SER17 2.3 32.2 1.0 O B:HOH314 2.7 33.2 1.0 CB B:SER17 3.3 30.4 1.0 PB B:GDP201 3.5 46.9 1.0 O1B B:GDP201 3.6 59.7 1.0 OD2 B:ASP57 3.7 64.7 1.0 OD1 B:ASP57 4.1 60.3 1.0 N B:SER17 4.1 25.1 1.0 O1A B:GDP201 4.1 29.0 1.0 CA B:PRO34 4.2 55.6 1.0 CA B:SER17 4.3 27.1 1.0 CG B:ASP57 4.3 56.7 1.0 O B:ASP33 4.5 63.9 1.0 O2B B:GDP201 4.5 61.1 1.0 O B:PRO34 4.5 68.2 1.0 O3A B:GDP201 4.6 46.7 1.0 CD2 B:TYR32 4.6 49.1 1.0 O B:THR58 4.6 38.8 1.0 O2A B:GDP201 4.7 38.7 1.0 PA B:GDP201 4.7 40.8 1.0 C B:PRO34 4.7 58.0 1.0 O B:HOH307 4.7 44.6 1.0 O B:ILE36 4.8 46.2 1.0 CB B:PRO34 4.9 57.5 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg202 b:33.6 occ:1.00 O C:HOH325 2.0 33.7 1.0 O C:HOH349 2.1 30.1 1.0 O C:HOH351 2.3 57.6 1.0 O C:HOH309 2.3 38.5 1.0 O3B C:GDP201 2.4 21.8 1.0 OG C:SER17 2.4 29.1 1.0 CB C:SER17 3.4 21.5 1.0 PB C:GDP201 3.6 21.4 1.0 O1B C:GDP201 3.6 22.8 1.0 OD2 C:ASP57 4.0 55.0 1.0 N C:SER17 4.2 24.5 1.0 O1A C:GDP201 4.2 24.5 1.0 CA C:SER17 4.4 19.6 1.0 OD1 C:ASP57 4.5 52.2 1.0 O2B C:GDP201 4.6 31.2 1.0 O C:THR58 4.6 42.8 1.0 O3A C:GDP201 4.6 34.3 1.0 CG C:ASP57 4.7 49.8 1.0 O2A C:GDP201 4.7 29.0 1.0 PA C:GDP201 4.7 17.9 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Gdp-Bound T50I Mutant of Human KRAS4B within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg203 b:28.1 occ:1.00 O C:THR35 2.3 62.2 1.0 OD1 C:ASP33 2.8 64.5 1.0 OD2 C:ASP33 2.9 60.8 1.0 CB C:THR35 2.9 70.1 1.0 C C:THR35 3.2 62.6 1.0 CG2 C:THR35 3.2 78.7 1.0 CG C:ASP33 3.3 61.9 1.0 CA C:THR35 3.5 66.5 1.0 N C:THR35 3.9 66.7 1.0 OG1 C:THR35 4.1 73.6 1.0 N C:ILE36 4.4 58.0 1.0 CB C:ASP33 4.8 60.2 1.0

P.-Y.Chen, B.J.Huang, M.Harris, C.Boone, H.Carias, B.Mesiona, D.Mavrici, A.Kohler, G.E.Bollag, C.Zhang, K.Shannon, Y.Zhang. Insights Into Raf Activation By Ras From Structural and Functional Analysis of A Germline Rasopathy Mutation To Be Published.