Sodium in PDB 7zyq: Crystal Structure of Egfr-T790M/V948R in Complex with Reversible Aminopyrimidine 13

Enzymatic activity of Crystal Structure of Egfr-T790M/V948R in Complex with Reversible Aminopyrimidine 13

All present enzymatic activity of Crystal Structure of Egfr-T790M/V948R in Complex with Reversible Aminopyrimidine 13:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Egfr-T790M/V948R in Complex with Reversible Aminopyrimidine 13, PDB code: 7zyq was solved by J.Niggenaber, M.P.Mueller, D.Rauh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.82 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 75.89, 79.59, 89.57, 90, 90, 90
R / Rfree (%) 19.8 / 22.3

Other elements in 7zyq:

The structure of Crystal Structure of Egfr-T790M/V948R in Complex with Reversible Aminopyrimidine 13 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Egfr-T790M/V948R in Complex with Reversible Aminopyrimidine 13 (pdb code 7zyq). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Egfr-T790M/V948R in Complex with Reversible Aminopyrimidine 13, PDB code: 7zyq:

Sodium binding site 1 out of 1 in 7zyq

Go back to Sodium Binding Sites List in 7zyq
Sodium binding site 1 out of 1 in the Crystal Structure of Egfr-T790M/V948R in Complex with Reversible Aminopyrimidine 13


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Egfr-T790M/V948R in Complex with Reversible Aminopyrimidine 13 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na1104

b:66.9
occ:1.00
 OE1 B:GLU963 3.2 50.4 1.0
OE2 B:GLU963 3.4 57.2 1.0
CD B:GLU963 3.7 53.9 1.0
O B:ARG958 4.0 50.3 1.0
CA B:PRO959 4.5 46.5 1.0
CG B:LYS960 4.7 56.0 1.0
N B:LYS960 4.7 46.6 1.0
C B:ARG958 4.8 52.1 1.0
O B:SER957 4.9 57.0 1.0

Reference:

T.Grabe, K.Jeyakumar, J.Niggenaber, T.Schulz, S.Koska, S.Kleinbolting, M.E.Beck, M.P.Muller, D.Rauh. Addressing the Osimertinib Resistance Mutation Egfr-L858R/C797S with Reversible Aminopyrimidines Acs Med.Chem.Lett. 2023.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.2C00514
Page generated: Wed Oct 9 10:21:03 2024

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