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Magnesium in PDB 4pzz: 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: 4pzz 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) 28.31 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.076, 41.063, 91.678, 90.00, 90.00, 90.00
R / Rfree (%) 13.1 / 15.6

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 4pzz). 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: 4pzz:

Magnesium binding site 1 out of 1 in 4pzz

Go back to Magnesium Binding Sites List in 4pzz
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:8.8
occ:1.00
 O3B A:GDP201 2.0 8.0 1.0
O A:HOH309 2.1 8.7 1.0
O A:HOH305 2.1 9.6 1.0
O A:HOH302 2.1 8.2 1.0
O A:HOH304 2.1 9.5 1.0
OG A:SER17 2.2 7.4 1.0
HB2 A:SER17 3.2 10.0 1.0
CB A:SER17 3.2 8.3 1.0
PB A:GDP201 3.3 8.3 1.0
H A:SER17 3.3 8.8 1.0
O1B A:GDP201 3.5 9.1 1.0
HA A:PRO34 3.5 14.1 1.0
HD2 A:TYR32 3.5 16.2 1.0
HB3 A:SER17 3.9 10.0 1.0
N A:SER17 3.9 7.4 1.0
HB2 A:LYS16 4.0 8.4 1.0
HE2 A:LYS16 4.0 10.7 1.0
CA A:SER17 4.1 6.5 1.0
O1A A:GDP201 4.2 10.7 1.0
OD2 A:ASP57 4.2 9.8 1.0
O A:PRO34 4.3 11.2 1.0
O A:ASP33 4.3 11.7 1.0
OD1 A:ASP57 4.3 8.2 1.0
O3A A:GDP201 4.3 8.8 1.0
O2B A:GDP201 4.3 8.9 1.0
HE2 A:TYR32 4.4 25.0 1.0
CD2 A:TYR32 4.4 13.5 1.0
CA A:PRO34 4.4 11.8 1.0
O A:ILE36 4.4 10.8 1.0
HA A:SER17 4.4 7.8 1.0
PA A:GDP201 4.6 9.4 1.0
O A:THR58 4.6 9.3 1.0
HB2 A:ALA59 4.6 15.4 1.0
C A:PRO34 4.6 11.0 1.0
CG A:ASP57 4.6 8.3 1.0
HZ3 A:LYS16 4.6 12.6 1.0
O2A A:GDP201 4.7 10.8 1.0
CE2 A:TYR32 4.8 20.8 1.0
HA A:ALA59 4.9 13.1 1.0
HZ2 A:LYS16 4.9 12.6 1.0
CE A:LYS16 4.9 8.9 1.0
O A:HOH321 4.9 10.7 1.0
CB A:LYS16 4.9 7.0 1.0
HB3 A:TYR32 4.9 17.8 1.0
O A:TYR32 4.9 13.4 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 01:42:59 2024

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