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Bromine in PDB 4lrm: Egfr D770_N771INSNPG in Complex with PD168393

Enzymatic activity of Egfr D770_N771INSNPG in Complex with PD168393

All present enzymatic activity of Egfr D770_N771INSNPG in Complex with PD168393:
2.7.10.1;

Protein crystallography data

The structure of Egfr D770_N771INSNPG in Complex with PD168393, PDB code: 4lrm was solved by C.H.Yun, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.18 / 3.53
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 114.923, 425.845, 95.100, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 26.4

Bromine Binding Sites:

The binding sites of Bromine atom in the Egfr D770_N771INSNPG in Complex with PD168393 (pdb code 4lrm). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Egfr D770_N771INSNPG in Complex with PD168393, PDB code: 4lrm:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in 4lrm

Go back to Bromine Binding Sites List in 4lrm
Bromine binding site 1 out of 5 in the Egfr D770_N771INSNPG in Complex with PD168393


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Egfr D770_N771INSNPG in Complex with PD168393 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1101

b:90.2
occ:1.00
 BR A:YUN1101 0.0 90.2 1.0
CAX A:YUN1101 1.9 49.0 1.0
CAL A:YUN1101 2.9 54.1 1.0
CAH A:YUN1101 2.9 51.3 1.0
OG1 A:THR793 3.2 85.6 1.0
O A:LEU791 3.2 58.2 1.0
CB A:LYS745 3.4 55.0 1.0
O A:ALA743 3.4 68.0 1.0
CB A:THR793 3.5 79.7 1.0
N A:THR793 3.5 79.6 1.0
N A:LYS745 3.5 54.8 1.0
C A:LEU791 3.7 60.3 1.0
C A:ILE744 4.0 49.8 1.0
CB A:LEU791 4.0 51.6 1.0
C A:ALA743 4.1 62.1 1.0
CA A:THR793 4.1 74.0 1.0
CA A:LYS745 4.1 61.4 1.0
CA A:ILE744 4.1 53.8 1.0
CAY A:YUN1101 4.2 50.0 1.0
N A:ILE792 4.2 60.8 1.0
C A:ILE792 4.2 76.5 1.0
CAF A:YUN1101 4.2 52.6 1.0
CA A:ILE792 4.3 62.9 1.0
N A:ILE744 4.4 61.4 1.0
CA A:LEU791 4.5 61.9 1.0
CG A:LYS745 4.6 52.6 1.0
CAI A:YUN1101 4.7 48.6 1.0
O A:ILE744 4.8 45.5 1.0
CG2 A:THR793 4.8 81.5 1.0
CB A:ALA743 4.9 59.2 1.0
CG2 A:VAL726 4.9 33.5 1.0
CD A:LYS745 4.9 56.6 1.0
O A:THR793 5.0 60.2 1.0

Bromine binding site 2 out of 5 in 4lrm

Go back to Bromine Binding Sites List in 4lrm
Bromine binding site 2 out of 5 in the Egfr D770_N771INSNPG in Complex with PD168393


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Egfr D770_N771INSNPG in Complex with PD168393 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1101

b:94.1
occ:1.00
 BR B:YUN1101 0.0 94.1 1.0
CAX B:YUN1101 1.9 74.3 1.0
CAL B:YUN1101 2.9 71.7 1.0
CAH B:YUN1101 2.9 73.8 1.0
OG1 B:THR793 3.1 70.0 1.0
O B:ALA743 3.2 53.6 1.0
O B:LEU791 3.4 31.3 1.0
CB B:THR793 3.6 60.8 1.0
CB B:LYS745 3.6 38.2 1.0
N B:LYS745 3.7 45.8 1.0
C B:ALA743 3.9 54.6 1.0
N B:THR793 4.0 53.7 1.0
C B:LEU791 4.0 48.0 1.0
CB B:LEU791 4.1 50.5 1.0
C B:ILE744 4.2 53.3 1.0
CAY B:YUN1101 4.2 65.5 1.0
CAF B:YUN1101 4.2 73.6 1.0
CA B:LYS745 4.3 43.4 1.0
CA B:ILE744 4.3 53.1 1.0
CD B:LYS745 4.4 47.3 1.0
N B:ILE744 4.5 55.7 1.0
CA B:THR793 4.5 56.3 1.0
C B:ILE792 4.6 43.5 1.0
CG B:LYS745 4.6 41.0 1.0
CB B:ALA743 4.6 57.5 1.0
N B:ILE792 4.6 45.9 1.0
CA B:LEU791 4.7 50.8 1.0
CAI B:YUN1101 4.7 71.9 1.0
CA B:ILE792 4.8 45.4 1.0
CG2 B:THR793 4.8 56.5 1.0
CA B:ALA743 4.9 55.6 1.0
O B:ILE744 5.0 61.2 1.0

Bromine binding site 3 out of 5 in 4lrm

Go back to Bromine Binding Sites List in 4lrm
Bromine binding site 3 out of 5 in the Egfr D770_N771INSNPG in Complex with PD168393


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Egfr D770_N771INSNPG in Complex with PD168393 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br1101

b:0.2
occ:1.00
 BR C:YUN1101 0.0 0.2 1.0
CAX C:YUN1101 1.9 64.7 1.0
CAL C:YUN1101 2.9 64.1 1.0
CAH C:YUN1101 2.9 64.7 1.0
OG1 C:THR793 3.2 0.2 1.0
O C:LEU791 3.2 68.0 1.0
O C:ALA743 3.2 62.0 1.0
N C:LYS745 3.2 64.9 1.0
N C:THR793 3.3 95.0 1.0
CB C:THR793 3.5 0.6 1.0
CB C:LYS745 3.5 50.1 1.0
C C:ILE744 3.7 69.5 1.0
C C:LEU791 3.7 65.0 1.0
CA C:ILE744 3.8 64.1 1.0
C C:ALA743 3.9 64.3 1.0
CA C:LYS745 4.0 61.7 1.0
CA C:THR793 4.0 86.5 1.0
C C:ILE792 4.0 93.5 1.0
CA C:ILE792 4.0 81.9 1.0
N C:ILE792 4.1 70.6 1.0
N C:ILE744 4.2 65.7 1.0
CAY C:YUN1101 4.2 62.7 1.0
CAF C:YUN1101 4.2 64.1 1.0
CB C:LEU791 4.4 49.1 1.0
O C:ILE744 4.5 78.8 1.0
CA C:LEU791 4.6 59.0 1.0
CAI C:YUN1101 4.7 63.9 1.0
O C:THR793 4.7 71.4 1.0
C C:THR793 4.9 80.1 1.0
CG2 C:THR793 4.9 0.7 1.0
CG C:LYS745 4.9 45.7 1.0

Bromine binding site 4 out of 5 in 4lrm

Go back to Bromine Binding Sites List in 4lrm
Bromine binding site 4 out of 5 in the Egfr D770_N771INSNPG in Complex with PD168393


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Egfr D770_N771INSNPG in Complex with PD168393 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br1101

b:0.4
occ:1.00
 BR D:YUN1101 0.0 0.4 1.0
CAX D:YUN1101 1.9 86.7 1.0
CAL D:YUN1101 2.9 89.3 1.0
CAH D:YUN1101 2.9 82.3 1.0
O D:LEU791 3.1 90.2 1.0
O D:ALA743 3.2 0.1 1.0
N D:LYS745 3.3 76.8 1.0
OG1 D:THR793 3.4 0.1 1.0
C D:LEU791 3.5 82.6 1.0
N D:THR793 3.6 0.3 1.0
CB D:THR793 3.6 0.7 1.0
CB D:LYS745 3.6 80.6 1.0
C D:ILE792 3.7 0.8 1.0
CA D:ILE792 3.8 99.9 1.0
N D:ILE792 3.9 90.5 1.0
CA D:ILE744 3.9 87.8 1.0
C D:ILE744 3.9 81.3 1.0
CB D:LEU791 3.9 53.1 1.0
C D:ALA743 4.0 0.2 1.0
CA D:LYS745 4.1 78.4 1.0
CA D:THR793 4.2 96.7 1.0
CAF D:YUN1101 4.2 78.9 1.0
CAY D:YUN1101 4.2 83.8 1.0
CA D:LEU791 4.3 65.2 1.0
N D:ILE744 4.3 96.1 1.0
O D:ILE792 4.4 0.9 1.0
CAI D:YUN1101 4.7 80.6 1.0
CG2 D:THR793 4.9 0.6 1.0
O D:ILE744 4.9 81.3 1.0

Bromine binding site 5 out of 5 in 4lrm

Go back to Bromine Binding Sites List in 4lrm
Bromine binding site 5 out of 5 in the Egfr D770_N771INSNPG in Complex with PD168393


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Egfr D770_N771INSNPG in Complex with PD168393 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br1101

b:0.8
occ:1.00
 BR E:YUN1101 0.0 0.8 1.0
CAX E:YUN1101 1.9 53.9 1.0
CAH E:YUN1101 2.9 54.1 1.0
CAL E:YUN1101 2.9 57.4 1.0
O E:ALA743 3.3 57.0 1.0
O E:LEU791 3.3 50.9 1.0
N E:LYS745 3.3 47.4 1.0
CG2 E:THR793 3.5 87.7 1.0
CB E:LYS745 3.7 44.6 1.0
CB E:THR793 3.7 85.5 1.0
N E:THR793 3.7 71.2 1.0
C E:LEU791 3.8 51.7 1.0
CB E:LEU791 3.9 45.0 1.0
C E:ILE744 4.0 51.4 1.0
CA E:ILE744 4.1 52.4 1.0
C E:ALA743 4.1 54.2 1.0
CA E:LYS745 4.1 46.2 1.0
CAF E:YUN1101 4.2 54.1 1.0
CAY E:YUN1101 4.2 57.8 1.0
C E:ILE792 4.2 65.9 1.0
N E:ILE792 4.3 52.7 1.0
CA E:THR793 4.3 75.6 1.0
CA E:ILE792 4.4 58.2 1.0
N E:ILE744 4.4 53.2 1.0
CA E:LEU791 4.5 52.1 1.0
CAI E:YUN1101 4.7 55.2 1.0
O E:ILE744 4.9 37.0 1.0
OG1 E:THR793 4.9 91.9 1.0

Reference:

H.Yasuda, E.Park, C.H.Yun, N.J.Sng, A.R.Lucena-Araujo, W.L.Yeo, M.S.Huberman, D.W.Cohen, S.Nakayama, K.Ishioka, N.Yamaguchi, M.Hanna, G.R.Oxnard, C.S.Lathan, T.Moran, L.V.Sequist, J.E.Chaft, G.J.Riely, M.E.Arcila, R.A.Soo, M.Meyerson, M.J.Eck, S.S.Kobayashi, D.B.Costa. Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (Egfr) Exon 20 Insertion Mutations in Lung Cancer. Sci Transl Med V. 5 RA177 2013.
ISSN: ISSN 1946-6234
PubMed: 24353160
DOI: 10.1126/SCITRANSLMED.3007205
Page generated: Sat Dec 12 02:21:16 2020

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