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Magnesium in PDB 4q02: Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands

Enzymatic activity of Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands

All present enzymatic activity of Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands:
3.6.5.2;

Protein crystallography data

The structure of Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands, PDB code: 4q02 was solved by Q.Sun, J.Phan, A.Friberg, D.V.Camper, E.T.Olejniczak, S.W.Fesik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.68 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.193, 40.931, 92.695, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 19.6

Other elements in 4q02:

The structure of Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands (pdb code 4q02). 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 Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands, PDB code: 4q02:

Magnesium binding site 1 out of 1 in 4q02

Go back to Magnesium Binding Sites List in 4q02
Magnesium binding site 1 out of 1 in the Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg202

b:11.7
occ:1.00
 O3B A:GDP201 2.0 10.8 1.0
O A:HOH306 2.0 11.8 1.0
O A:HOH302 2.0 13.3 1.0
O A:HOH304 2.1 9.7 1.0
O A:HOH307 2.1 11.4 1.0
OG A:SER17 2.1 9.4 1.0
CB A:SER17 3.2 7.9 1.0
PB A:GDP201 3.2 11.6 1.0
O1B A:GDP201 3.5 11.4 1.0
N A:SER17 3.9 11.3 1.0
O1A A:GDP201 4.1 14.6 1.0
CA A:SER17 4.1 10.4 1.0
OD2 A:ASP57 4.1 12.6 1.0
CD2 A:TYR32 4.2 19.4 1.0
O2B A:GDP201 4.3 10.6 1.0
O A:ASP33 4.3 15.8 1.0
O A:PRO34 4.3 11.8 1.0
CA A:PRO34 4.3 15.5 1.0
O3A A:GDP201 4.3 11.4 1.0
OD1 A:ASP57 4.4 10.6 1.0
O A:ILE36 4.5 14.3 1.0
PA A:GDP201 4.5 11.5 1.0
CE2 A:TYR32 4.5 22.3 1.0
O A:THR58 4.6 14.0 1.0
C A:PRO34 4.6 15.8 1.0
CG A:ASP57 4.7 12.6 1.0
O2A A:GDP201 4.7 12.9 1.0
O A:TYR32 4.9 19.2 1.0
O A:HOH324 4.9 15.5 1.0
CB A:LYS16 4.9 10.7 1.0
C A:ASP33 5.0 13.9 1.0

Reference:

Q.Sun, J.Phan, A.R.Friberg, D.V.Camper, E.T.Olejniczak, S.W.Fesik. A Method For the Second-Site Screening of K-Ras in the Presence of A Covalently Attached First-Site Ligand. J.Biomol.uc(Nmr) V. 60 11 2014.
ISSN: ISSN 0925-2738
PubMed: 25087006
DOI: 10.1007/S10858-014-9849-8
Page generated: Tue Aug 20 01:43:16 2024

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