Bromine in PDB 8hv1: Crystal Structure of EGFR_DMX in Complex with Covalently Bound Fragment 1

Enzymatic activity of Crystal Structure of EGFR_DMX in Complex with Covalently Bound Fragment 1

All present enzymatic activity of Crystal Structure of EGFR_DMX in Complex with Covalently Bound Fragment 1:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of EGFR_DMX in Complex with Covalently Bound Fragment 1, PDB code: 8hv1 was solved by P.Dokurno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.40
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 144.91, 144.91, 144.91, 90, 90, 90
R / Rfree (%) 18.9 / 21.9

Other elements in 8hv1:

The structure of Crystal Structure of EGFR_DMX in Complex with Covalently Bound Fragment 1 also contains other interesting chemical elements:

Sodium (Na) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of EGFR_DMX in Complex with Covalently Bound Fragment 1 (pdb code 8hv1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of EGFR_DMX in Complex with Covalently Bound Fragment 1, PDB code: 8hv1:

Bromine binding site 1 out of 1 in 8hv1

Go back to Bromine Binding Sites List in 8hv1
Bromine binding site 1 out of 1 in the Crystal Structure of EGFR_DMX in Complex with Covalently Bound Fragment 1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of EGFR_DMX in Complex with Covalently Bound Fragment 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1102

b:89.8
occ:0.50
 BR1 A:N6N1102 0.0 89.8 0.5
C1 A:N6N1102 1.9 109.7 1.0
NZ A:LYS745 2.8 118.5 1.0
C2 A:N6N1102 2.8 85.3 1.0
C6 A:N6N1102 2.9 108.3 1.0
O A:HOH1204 3.4 62.3 1.0
OE2 A:GLU762 3.6 91.3 1.0
CA A:ASP855 3.8 50.1 1.0
N A:ASP855 4.0 54.9 1.0
CE A:LYS745 4.0 114.7 1.0
C3 A:N6N1102 4.1 70.4 1.0
C5 A:N6N1102 4.2 93.4 1.0
OG1 A:THR854 4.2 69.3 1.0
CB A:ASP855 4.2 57.3 1.0
CG A:ASP855 4.3 67.3 1.0
CD A:LYS745 4.5 106.4 1.0
OD1 A:ASP855 4.6 69.4 1.0
CD A:GLU762 4.6 85.7 1.0
C4 A:N6N1102 4.7 78.2 1.0
OD2 A:ASP855 4.7 78.0 1.0
O A:HOH1254 4.8 70.7 1.0
OE1 A:GLU762 4.9 95.8 1.0
O A:HOH1234 4.9 68.5 1.0
CG2 A:THR854 4.9 53.5 1.0
C A:ASP855 5.0 56.4 1.0

Reference:

N.Kuki, D.L.Walmsley, K.Kanai, S.Takechi, M.Yoshida, R.Murakami, K.Takano, Y.Tominaga, M.Takahashi, S.Ito, N.Nakao, H.Angove, L.M.Baker, E.Carter, P.Dokurno, L.L.Strat, A.T.Macias, C.A.Molyneaux, J.B.Murray, A.E.Surgenor, T.Hamada, R.E.Hubbard. A Covalent Fragment-Based Strategy Targeting A Novel Cysteine to Inhibit Activity of Mutant Egfr Kinase. Rsc Med Chem 2023.
ISSN: ESSN 2632-8682
DOI: 10.1039/D3MD00439B
Page generated: Thu Jul 11 05:17:24 2024

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