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Magnesium in PDB 4nmm: Crystal Structure of A G12C Oncogenic Variant of Human Kras Bound to A Novel Gdp Competitive Covalent Inhibitor

Enzymatic activity of Crystal Structure of A G12C Oncogenic Variant of Human Kras Bound to A Novel Gdp Competitive Covalent Inhibitor

All present enzymatic activity of Crystal Structure of A G12C Oncogenic Variant of Human Kras Bound to A Novel Gdp Competitive Covalent Inhibitor:
3.6.5.2;

Protein crystallography data

The structure of Crystal Structure of A G12C Oncogenic Variant of Human Kras Bound to A Novel Gdp Competitive Covalent Inhibitor, PDB code: 4nmm was solved by J.C.Hunter, D.Gurbani, S.M.Lim, K.D.Westover, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.58 / 1.89
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.088, 42.022, 91.159, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 23.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A G12C Oncogenic Variant of Human Kras Bound to A Novel Gdp Competitive Covalent Inhibitor (pdb code 4nmm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of A G12C Oncogenic Variant of Human Kras Bound to A Novel Gdp Competitive Covalent Inhibitor, PDB code: 4nmm:

Magnesium binding site 1 out of 1 in 4nmm

Go back to Magnesium Binding Sites List in 4nmm
Magnesium binding site 1 out of 1 in the Crystal Structure of A G12C Oncogenic Variant of Human Kras Bound to A Novel Gdp Competitive Covalent Inhibitor


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 A G12C Oncogenic Variant of Human Kras Bound to A Novel Gdp Competitive Covalent Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:37.8
occ:1.00
 O8 A:Y9Z202 1.9 22.8 1.0
OG A:SER17 2.2 26.7 1.0
O A:HOH424 2.3 32.9 1.0
O A:HOH425 2.3 27.3 1.0
O A:HOH306 2.4 28.3 1.0
C11 A:Y9Z202 2.5 26.9 0.5
C10 A:Y9Z202 2.5 27.8 0.5
P1 A:Y9Z202 3.0 23.4 1.0
CB A:SER17 3.2 24.7 1.0
O5 A:Y9Z202 3.2 29.0 1.0
CD2 A:TYR32 3.7 51.4 1.0
O10 A:Y9Z202 3.7 26.3 1.0
N5 A:Y9Z202 3.9 28.5 0.5
O4 A:Y9Z202 4.0 29.6 1.0
N A:SER17 4.0 24.5 1.0
CA A:SER17 4.1 23.8 1.0
OD2 A:ASP57 4.2 36.2 1.0
O7 A:Y9Z202 4.2 20.8 1.0
CE2 A:TYR32 4.2 54.2 1.0
P A:Y9Z202 4.2 26.9 1.0
O9 A:Y9Z202 4.3 28.2 1.0
O A:ASP33 4.3 38.3 1.0
OD1 A:ASP57 4.3 42.8 1.0
CA A:PRO34 4.6 41.9 1.0
O A:ILE36 4.6 29.1 1.0
CG A:ASP57 4.7 33.9 1.0
O A:PRO34 4.8 39.7 1.0
CG A:TYR32 4.8 55.7 1.0
O A:TYR32 4.8 42.6 1.0
O A:HOH336 4.8 29.5 1.0
O A:THR58 4.9 22.2 1.0
C A:PRO34 5.0 42.5 1.0
C12 A:Y9Z202 5.0 27.1 0.5

Reference:

J.C.Hunter, D.Gurbani, S.B.Ficarro, M.A.Carrasco, S.M.Lim, H.G.Choi, T.Xie, J.A.Marto, Z.Chen, N.S.Gray, K.D.Westover. In Situ Selectivity Profiling and Crystal Structure of Sml-8-73-1, An Active Site Inhibitor of Oncogenic K-Ras G12C. Proc.Natl.Acad.Sci.Usa V. 111 8895 2014.
ISSN: ISSN 0027-8424
PubMed: 24889603
DOI: 10.1073/PNAS.1404639111
Page generated: Mon Dec 14 19:14:40 2020

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