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Magnesium in PDB 8epw: Crystal Structure of KRAS4B-G13D (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) of RAF1/Craf

Enzymatic activity of Crystal Structure of KRAS4B-G13D (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) of RAF1/Craf

All present enzymatic activity of Crystal Structure of KRAS4B-G13D (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) of RAF1/Craf:
2.7.11.1; 3.6.5.2;

Protein crystallography data

The structure of Crystal Structure of KRAS4B-G13D (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) of RAF1/Craf, PDB code: 8epw was solved by T.H.Tran, A.H.Chan, S.Dharmaiah, D.K.Simanshu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.77 / 2.00
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.48, 66.8, 71.38, 90, 90, 90
R / Rfree (%) 19.2 / 25.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of KRAS4B-G13D (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) of RAF1/Craf (pdb code 8epw). 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 KRAS4B-G13D (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) of RAF1/Craf, PDB code: 8epw:

Magnesium binding site 1 out of 1 in 8epw

Go back to Magnesium Binding Sites List in 8epw
Magnesium binding site 1 out of 1 in the Crystal Structure of KRAS4B-G13D (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) of RAF1/Craf


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 KRAS4B-G13D (Gmppnp-Bound) in Complex with Ras- Binding Domain (Rbd) of RAF1/Craf within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg202

b:24.8
occ:1.00
 OG1 A:THR35 2.0 17.4 1.0
O1G A:GNP201 2.0 28.9 1.0
O A:HOH311 2.0 23.5 1.0
O2B A:GNP201 2.1 25.6 1.0
O A:HOH302 2.1 22.1 1.0
OG A:SER17 2.1 23.6 1.0
CB A:SER17 3.0 27.8 1.0
CB A:THR35 3.1 19.5 1.0
PG A:GNP201 3.2 32.1 1.0
PB A:GNP201 3.2 25.5 1.0
N3B A:GNP201 3.3 23.7 1.0
N A:THR35 3.7 31.9 1.0
N A:SER17 3.8 17.8 1.0
O2G A:GNP201 3.9 25.2 1.0
CA A:THR35 4.0 22.8 1.0
CA A:SER17 4.0 23.5 1.0
OD2 A:ASP57 4.1 39.4 1.0
OD1 A:ASP57 4.1 41.5 1.0
CG2 A:THR35 4.1 32.0 1.0
O A:HOH304 4.1 29.0 1.0
O2A A:GNP201 4.2 24.5 1.0
O3A A:GNP201 4.2 28.9 1.0
O1B A:GNP201 4.3 25.1 1.0
O3G A:GNP201 4.3 30.6 1.0
CG A:ASP57 4.5 34.8 1.0
O A:ASP33 4.5 28.2 1.0
PA A:GNP201 4.5 24.1 1.0
O A:THR58 4.6 29.1 1.0
O1A A:GNP201 4.6 22.1 1.0
C A:PRO34 4.7 42.3 1.0
CB A:LYS16 4.8 15.3 1.0
C A:LYS16 4.8 25.3 1.0
CE A:LYS16 5.0 19.2 1.0
CA A:PRO34 5.0 40.1 1.0

Reference:

F.A.Chao, A.H.Chan, S.Dharmaiah, C.D.Schwieters, T.H.Tran, T.Taylor, N.Ramakrishnan, D.Esposito, D.V.Nissley, F.Mccormick, D.K.Simanshu, G.Cornilescu. Identification and Structure Elucidation of An Excited State in A Kras G13D Oncogenic Mutant with Reduced Conformational Dynamic Complexity Commun Biol 2023.
ISSN: ESSN 2399-3642
DOI: 10.1038/S42003-023-04960-6
Page generated: Fri Oct 4 01:19:17 2024

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