Magnesium in PDB 8t74: Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd)

All present enzymatic activity of Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd):
2.7.11.1; 3.6.5.2;

The structure of Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd), PDB code: 8t74 was solved by M.J.Whitley, D.K.Simanshu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.52 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.371, 37.703, 70.876, 90, 101.67, 90
R / Rfree (%)	17.3 / 19.6

The binding sites of Magnesium atom in the Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd) (pdb code 8t74). 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 KRAS4A (Gmppnp) in Complex with RAF1 (Rbd), PDB code: 8t74:

Magnesium binding site 1 out of 1 in the Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd)


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 KRAS4A (Gmppnp) in Complex with RAF1 (Rbd) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:20.5 occ:1.00 O2B A:GNP202 2.0 18.0 1.0 O3G A:GNP202 2.0 21.5 1.0 OG A:SER17 2.0 23.3 1.0 OG1 A:THR35 2.1 23.3 1.0 O A:HOH333 2.1 20.9 1.0 O A:HOH323 2.2 20.4 1.0 HB A:THR35 3.0 29.6 1.0 CB A:THR35 3.1 24.7 1.0 HB2 A:SER17 3.1 24.3 1.0 CB A:SER17 3.1 20.2 1.0 H A:THR35 3.2 32.0 1.0 PG A:GNP202 3.2 20.9 1.0 PB A:GNP202 3.2 20.2 1.0 H A:SER17 3.3 24.8 1.0 N3B A:GNP202 3.4 20.8 1.0 N A:THR35 3.7 26.7 1.0 HB3 A:SER17 3.8 24.3 1.0 N A:SER17 3.9 20.7 1.0 HB2 A:LYS16 3.9 22.8 1.0 O2G A:GNP202 4.0 23.1 1.0 OD2 A:ASP57 4.0 30.8 1.0 CA A:THR35 4.0 24.5 1.0 CA A:SER17 4.1 19.8 1.0 HG21 A:THR35 4.1 29.8 1.0 O2A A:GNP202 4.1 22.6 1.0 HNB3 A:GNP202 4.1 25.0 1.0 HE2 A:LYS16 4.2 26.0 1.0 HA A:PRO34 4.2 33.4 1.0 O A:HOH313 4.2 33.2 1.0 OD1 A:ASP57 4.2 27.3 1.0 CG2 A:THR35 4.2 24.8 1.0 O1B A:GNP202 4.3 19.8 1.0 O3A A:GNP202 4.3 21.8 1.0 O1G A:GNP202 4.3 23.5 1.0 HA A:SER17 4.4 23.8 1.0 O A:ASP33 4.4 29.9 1.0 CG A:ASP57 4.5 25.8 1.0 O A:THR58 4.5 23.9 1.0 HA A:THR35 4.5 29.3 1.0 PA A:GNP202 4.5 20.5 1.0 O1A A:GNP202 4.6 20.1 1.0 C A:PRO34 4.7 32.3 1.0 HG23 A:THR35 4.7 29.8 1.0 HZ3 A:LYS16 4.8 25.0 1.0 HZ1 A:LYS16 4.8 25.0 1.0 O A:HOH346 4.8 54.0 1.0 CB A:LYS16 4.8 19.0 1.0 HG22 A:THR35 4.9 29.8 1.0 CA A:PRO34 4.9 27.9 1.0 C A:LYS16 4.9 21.9 1.0

M.J.Whitley, T.H.Tran, M.Yi, S.Dharmaiah, G.Cornilescu, D.K.Simanshu. Comparative Analysis of KRAS4A and KRAS4B Splice Variants Reveals Distinctive Structural and Functional Properties Sci Adv 2024.
ISSN: ESSN 2375-2548
DOI: 10.1126/SCIADV.ADJ4137