Chlorine in PDB 5gty: Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26
Enzymatic activity of Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26
All present enzymatic activity of Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26:
2.7.10.1;
Protein crystallography data
The structure of Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26, PDB code: 5gty
was solved by
X.E.Yan,
C.H.Yun,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
49.81 /
3.14
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
117.427,
71.796,
152.530,
90.00,
103.53,
90.00
|
|
R / Rfree (%)
|
25.7 /
28
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26
(pdb code 5gty). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26, PDB code: 5gty:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 5gty
Go back to
Chlorine Binding Sites List in 5gty
Chlorine binding site 1 out
of 8 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1101
b:34.9
occ:1.00
|
CLA
|
A:8161101
|
0.0
|
34.9
|
1.0
|
|
CBF
|
A:8161101
|
1.6
|
31.6
|
1.0
|
|
CBI
|
A:8161101
|
2.5
|
34.8
|
1.0
|
|
CAN
|
A:8161101
|
2.6
|
31.7
|
1.0
|
|
O
|
A:ALA743
|
2.7
|
26.5
|
1.0
|
|
OBA
|
A:8161101
|
2.7
|
33.1
|
1.0
|
|
C
|
A:ALA743
|
3.2
|
29.1
|
1.0
|
|
O
|
A:LEU788
|
3.2
|
40.2
|
1.0
|
|
CG
|
A:MET790
|
3.6
|
35.1
|
1.0
|
|
N
|
A:LYS745
|
3.6
|
30.7
|
1.0
|
|
CB
|
A:ALA743
|
3.6
|
29.2
|
1.0
|
|
N
|
A:ILE744
|
3.7
|
40.6
|
1.0
|
|
C
|
A:ILE744
|
3.8
|
35.8
|
1.0
|
|
CB
|
A:LYS745
|
3.8
|
28.9
|
1.0
|
|
CAM
|
A:8161101
|
3.8
|
41.6
|
1.0
|
|
CBH
|
A:8161101
|
3.9
|
36.9
|
1.0
|
|
N
|
A:MET790
|
3.9
|
40.9
|
1.0
|
|
CA
|
A:ILE744
|
3.9
|
35.1
|
1.0
|
|
CB
|
A:MET790
|
4.0
|
37.7
|
1.0
|
|
CA
|
A:ALA743
|
4.0
|
29.2
|
1.0
|
|
C
|
A:LEU788
|
4.0
|
41.7
|
1.0
|
|
CAT
|
A:8161101
|
4.1
|
32.4
|
1.0
|
|
NAB
|
A:8161101
|
4.3
|
46.5
|
1.0
|
|
C
|
A:ILE789
|
4.3
|
38.3
|
1.0
|
|
CA
|
A:LYS745
|
4.3
|
32.9
|
1.0
|
|
CA
|
A:ILE789
|
4.3
|
39.5
|
1.0
|
|
CAL
|
A:8161101
|
4.3
|
43.6
|
1.0
|
|
CA
|
A:MET790
|
4.5
|
35.3
|
1.0
|
|
O
|
A:ILE744
|
4.5
|
40.7
|
1.0
|
|
N
|
A:ILE789
|
4.5
|
39.3
|
1.0
|
|
NAY
|
A:8161101
|
4.6
|
45.7
|
1.0
|
|
SD
|
A:MET790
|
4.7
|
38.5
|
1.0
|
|
CG
|
A:LYS745
|
4.7
|
34.5
|
1.0
|
|
O
|
A:MET790
|
4.8
|
33.6
|
1.0
|
|
CB
|
A:LEU788
|
4.8
|
38.7
|
1.0
|
|
CBG
|
A:8161101
|
4.9
|
39.6
|
1.0
|
|
N
|
A:ALA743
|
4.9
|
38.6
|
1.0
|
|
CBJ
|
A:8161101
|
4.9
|
39.8
|
1.0
|
|
C
|
A:MET790
|
5.0
|
34.5
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 5gty
Go back to
Chlorine Binding Sites List in 5gty
Chlorine binding site 2 out
of 8 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1101
b:37.6
occ:1.00
|
CLA
|
B:8161101
|
0.0
|
37.6
|
1.0
|
|
CBF
|
B:8161101
|
1.7
|
42.6
|
1.0
|
|
CBI
|
B:8161101
|
2.6
|
45.1
|
1.0
|
|
CAN
|
B:8161101
|
2.7
|
38.2
|
1.0
|
|
O
|
B:LEU788
|
2.7
|
46.2
|
1.0
|
|
OBA
|
B:8161101
|
2.8
|
40.3
|
1.0
|
|
O
|
B:ALA743
|
2.9
|
28.0
|
1.0
|
|
N
|
B:LYS745
|
3.4
|
34.6
|
1.0
|
|
CB
|
B:LYS745
|
3.4
|
39.6
|
1.0
|
|
CG
|
B:MET790
|
3.5
|
36.0
|
1.0
|
|
C
|
B:LEU788
|
3.6
|
48.9
|
1.0
|
|
C
|
B:ALA743
|
3.7
|
31.2
|
1.0
|
|
C
|
B:ILE744
|
3.9
|
33.1
|
1.0
|
|
CAM
|
B:8161101
|
3.9
|
44.9
|
1.0
|
|
CBH
|
B:8161101
|
3.9
|
38.2
|
1.0
|
|
N
|
B:MET790
|
4.0
|
38.8
|
1.0
|
|
CA
|
B:LYS745
|
4.0
|
43.0
|
1.0
|
|
CA
|
B:ILE744
|
4.1
|
37.1
|
1.0
|
|
N
|
B:ILE744
|
4.1
|
38.0
|
1.0
|
|
CB
|
B:MET790
|
4.2
|
38.5
|
1.0
|
|
CA
|
B:ILE789
|
4.2
|
34.2
|
1.0
|
|
CAT
|
B:8161101
|
4.2
|
45.1
|
1.0
|
|
N
|
B:ILE789
|
4.2
|
41.4
|
1.0
|
|
C
|
B:ILE789
|
4.2
|
42.2
|
1.0
|
|
CB
|
B:LEU788
|
4.3
|
42.4
|
1.0
|
|
CB
|
B:ALA743
|
4.4
|
34.5
|
1.0
|
|
CAL
|
B:8161101
|
4.4
|
42.9
|
1.0
|
|
CA
|
B:LEU788
|
4.6
|
53.1
|
1.0
|
|
SD
|
B:MET790
|
4.6
|
34.5
|
1.0
|
|
CA
|
B:ALA743
|
4.7
|
32.5
|
1.0
|
|
CA
|
B:MET790
|
4.7
|
33.2
|
1.0
|
|
O
|
B:ILE744
|
4.7
|
31.6
|
1.0
|
|
NAB
|
B:8161101
|
4.7
|
46.8
|
1.0
|
|
CG
|
B:LYS745
|
4.7
|
42.5
|
1.0
|
|
NAY
|
B:8161101
|
4.7
|
46.5
|
1.0
|
|
CD
|
B:LYS745
|
4.9
|
44.2
|
1.0
|
|
O
|
B:ILE789
|
4.9
|
46.6
|
1.0
|
|
CBG
|
B:8161101
|
5.0
|
47.4
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 5gty
Go back to
Chlorine Binding Sites List in 5gty
Chlorine binding site 3 out
of 8 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1101
b:56.9
occ:1.00
|
CLA
|
D:8161101
|
0.0
|
56.9
|
1.0
|
|
CBF
|
D:8161101
|
1.6
|
50.0
|
1.0
|
|
CBI
|
D:8161101
|
2.6
|
55.8
|
1.0
|
|
CAN
|
D:8161101
|
2.6
|
46.8
|
1.0
|
|
OBA
|
D:8161101
|
2.7
|
66.1
|
1.0
|
|
O
|
D:LEU788
|
3.3
|
43.5
|
1.0
|
|
CB
|
D:LYS745
|
3.7
|
51.4
|
1.0
|
|
N
|
D:LYS745
|
3.7
|
45.6
|
1.0
|
|
O
|
D:ALA743
|
3.8
|
39.2
|
1.0
|
|
CB
|
D:MET790
|
3.9
|
44.1
|
1.0
|
|
CAM
|
D:8161101
|
3.9
|
52.9
|
1.0
|
|
CBH
|
D:8161101
|
3.9
|
42.0
|
1.0
|
|
C
|
D:ILE744
|
4.1
|
47.4
|
1.0
|
|
C
|
D:ALA743
|
4.2
|
35.9
|
1.0
|
|
CAT
|
D:8161101
|
4.2
|
59.3
|
1.0
|
|
CE
|
D:MET790
|
4.2
|
49.3
|
1.0
|
|
C
|
D:LEU788
|
4.3
|
41.6
|
1.0
|
|
CB
|
D:ALA743
|
4.3
|
35.5
|
1.0
|
|
CA
|
D:LYS745
|
4.3
|
49.4
|
1.0
|
|
SD
|
D:MET790
|
4.4
|
41.3
|
1.0
|
|
CAL
|
D:8161101
|
4.4
|
48.3
|
1.0
|
|
N
|
D:MET790
|
4.4
|
35.3
|
1.0
|
|
NAY
|
D:8161101
|
4.4
|
53.4
|
1.0
|
|
CA
|
D:ILE744
|
4.4
|
40.6
|
1.0
|
|
N
|
D:ILE744
|
4.5
|
35.8
|
1.0
|
|
CD1
|
D:LEU788
|
4.5
|
51.6
|
1.0
|
|
CBG
|
D:8161101
|
4.7
|
59.8
|
1.0
|
|
CG
|
D:MET790
|
4.7
|
44.1
|
1.0
|
|
NAB
|
D:8161101
|
4.7
|
52.9
|
1.0
|
|
O
|
D:ILE744
|
4.8
|
54.2
|
1.0
|
|
CB
|
D:LEU788
|
4.8
|
48.5
|
1.0
|
|
CA
|
D:MET790
|
4.8
|
40.0
|
1.0
|
|
C
|
D:ILE789
|
4.8
|
35.4
|
1.0
|
|
CA
|
D:ALA743
|
4.9
|
36.7
|
1.0
|
|
CG
|
D:LYS745
|
4.9
|
54.6
|
1.0
|
|
CBJ
|
D:8161101
|
5.0
|
46.7
|
1.0
|
|
Chlorine binding site 4 out
of 8 in 5gty
Go back to
Chlorine Binding Sites List in 5gty
Chlorine binding site 4 out
of 8 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl1101
b:70.4
occ:1.00
|
CLA
|
E:8161101
|
0.0
|
70.4
|
1.0
|
|
CBF
|
E:8161101
|
1.6
|
50.1
|
1.0
|
|
CBI
|
E:8161101
|
2.5
|
51.9
|
1.0
|
|
OBA
|
E:8161101
|
2.6
|
65.0
|
1.0
|
|
CAN
|
E:8161101
|
2.7
|
49.0
|
1.0
|
|
CG
|
E:MET790
|
3.1
|
40.8
|
1.0
|
|
O
|
E:LEU788
|
3.5
|
41.5
|
1.0
|
|
O
|
E:ALA743
|
3.7
|
33.5
|
1.0
|
|
CB
|
E:LYS745
|
3.8
|
54.8
|
1.0
|
|
CAM
|
E:8161101
|
3.8
|
53.6
|
1.0
|
|
CB
|
E:ALA743
|
3.9
|
35.9
|
1.0
|
|
CBH
|
E:8161101
|
3.9
|
59.2
|
1.0
|
|
N
|
E:LYS745
|
4.0
|
41.1
|
1.0
|
|
C
|
E:ALA743
|
4.0
|
25.3
|
1.0
|
|
CAT
|
E:8161101
|
4.0
|
62.2
|
1.0
|
|
SD
|
E:MET790
|
4.1
|
48.3
|
1.0
|
|
CB
|
E:MET790
|
4.2
|
44.3
|
1.0
|
|
C
|
E:ILE744
|
4.3
|
40.8
|
1.0
|
|
CAL
|
E:8161101
|
4.4
|
62.7
|
1.0
|
|
CD
|
E:LYS745
|
4.4
|
52.8
|
1.0
|
|
N
|
E:ILE744
|
4.4
|
29.3
|
1.0
|
|
CE
|
E:MET790
|
4.4
|
54.4
|
1.0
|
|
CA
|
E:LYS745
|
4.4
|
48.6
|
1.0
|
|
NAB
|
E:8161101
|
4.5
|
45.5
|
1.0
|
|
C
|
E:LEU788
|
4.5
|
47.5
|
1.0
|
|
N
|
E:MET790
|
4.5
|
31.2
|
1.0
|
|
CA
|
E:ILE744
|
4.6
|
36.0
|
1.0
|
|
CA
|
E:ALA743
|
4.6
|
32.4
|
1.0
|
|
CBG
|
E:8161101
|
4.7
|
59.4
|
1.0
|
|
CG
|
E:LYS745
|
4.7
|
56.3
|
1.0
|
|
NAY
|
E:8161101
|
4.8
|
58.3
|
1.0
|
|
O
|
E:ILE744
|
4.8
|
44.6
|
1.0
|
|
CB
|
E:LEU788
|
4.9
|
53.7
|
1.0
|
|
CA
|
E:MET790
|
4.9
|
41.5
|
1.0
|
|
Chlorine binding site 5 out
of 8 in 5gty
Go back to
Chlorine Binding Sites List in 5gty
Chlorine binding site 5 out
of 8 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl1101
b:33.8
occ:1.00
|
CLA
|
F:8161101
|
0.0
|
33.8
|
1.0
|
|
CBF
|
F:8161101
|
1.6
|
40.8
|
1.0
|
|
CBI
|
F:8161101
|
2.6
|
38.4
|
1.0
|
|
CAN
|
F:8161101
|
2.7
|
44.9
|
1.0
|
|
OBA
|
F:8161101
|
2.7
|
43.6
|
1.0
|
|
O
|
F:LEU788
|
3.2
|
37.1
|
1.0
|
|
CG
|
F:MET790
|
3.4
|
32.9
|
1.0
|
|
O
|
F:ALA743
|
3.4
|
29.1
|
1.0
|
|
N
|
F:LYS745
|
3.5
|
33.7
|
1.0
|
|
CB
|
F:LYS745
|
3.5
|
44.4
|
1.0
|
|
CAM
|
F:8161101
|
3.9
|
43.4
|
1.0
|
|
CBH
|
F:8161101
|
3.9
|
40.4
|
1.0
|
|
N
|
F:MET790
|
4.0
|
33.7
|
1.0
|
|
C
|
F:ILE744
|
4.0
|
38.0
|
1.0
|
|
C
|
F:ALA743
|
4.1
|
35.3
|
1.0
|
|
C
|
F:LEU788
|
4.1
|
35.6
|
1.0
|
|
CA
|
F:LYS745
|
4.1
|
35.2
|
1.0
|
|
CAT
|
F:8161101
|
4.1
|
50.9
|
1.0
|
|
CB
|
F:MET790
|
4.2
|
30.9
|
1.0
|
|
CA
|
F:ILE744
|
4.3
|
38.0
|
1.0
|
|
NAB
|
F:8161101
|
4.4
|
48.6
|
1.0
|
|
CAL
|
F:8161101
|
4.4
|
46.6
|
1.0
|
|
N
|
F:ILE744
|
4.4
|
38.5
|
1.0
|
|
SD
|
F:MET790
|
4.5
|
30.5
|
1.0
|
|
NAY
|
F:8161101
|
4.5
|
40.4
|
1.0
|
|
C
|
F:ILE789
|
4.5
|
31.9
|
1.0
|
|
CA
|
F:ILE789
|
4.6
|
35.5
|
1.0
|
|
CB
|
F:LEU788
|
4.6
|
47.1
|
1.0
|
|
CA
|
F:MET790
|
4.7
|
30.8
|
1.0
|
|
N
|
F:ILE789
|
4.7
|
31.2
|
1.0
|
|
CB
|
F:ALA743
|
4.7
|
34.6
|
1.0
|
|
CBG
|
F:8161101
|
4.8
|
48.7
|
1.0
|
|
O
|
F:ILE744
|
4.8
|
41.5
|
1.0
|
|
CG
|
F:LYS745
|
4.9
|
47.2
|
1.0
|
|
CA
|
F:LEU788
|
5.0
|
44.3
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 5gty
Go back to
Chlorine Binding Sites List in 5gty
Chlorine binding site 6 out
of 8 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl1101
b:41.5
occ:1.00
|
CLA
|
G:8161101
|
0.0
|
41.5
|
1.0
|
|
CBF
|
G:8161101
|
1.6
|
46.2
|
1.0
|
|
CBI
|
G:8161101
|
2.5
|
48.4
|
1.0
|
|
CAN
|
G:8161101
|
2.6
|
52.2
|
1.0
|
|
OBA
|
G:8161101
|
2.6
|
49.5
|
1.0
|
|
CG
|
G:MET790
|
3.2
|
42.5
|
1.0
|
|
O
|
G:LEU788
|
3.2
|
51.3
|
1.0
|
|
CB
|
G:LYS745
|
3.5
|
51.6
|
1.0
|
|
CAM
|
G:8161101
|
3.8
|
54.5
|
1.0
|
|
C
|
G:LEU788
|
3.8
|
46.6
|
1.0
|
|
O
|
G:ALA743
|
3.8
|
39.9
|
1.0
|
|
CBH
|
G:8161101
|
3.9
|
52.9
|
1.0
|
|
N
|
G:LYS745
|
3.9
|
42.7
|
1.0
|
|
CB
|
G:MET790
|
3.9
|
44.3
|
1.0
|
|
CB
|
G:LEU788
|
4.0
|
44.5
|
1.0
|
|
CAT
|
G:8161101
|
4.0
|
52.9
|
1.0
|
|
N
|
G:MET790
|
4.2
|
44.5
|
1.0
|
|
SD
|
G:MET790
|
4.2
|
36.7
|
1.0
|
|
CA
|
G:LYS745
|
4.3
|
45.1
|
1.0
|
|
CAL
|
G:8161101
|
4.3
|
55.2
|
1.0
|
|
NAB
|
G:8161101
|
4.3
|
48.2
|
1.0
|
|
C
|
G:ILE789
|
4.4
|
43.8
|
1.0
|
|
N
|
G:ILE789
|
4.4
|
40.6
|
1.0
|
|
C
|
G:ALA743
|
4.5
|
43.1
|
1.0
|
|
NAY
|
G:8161101
|
4.5
|
50.7
|
1.0
|
|
C
|
G:ILE744
|
4.5
|
44.8
|
1.0
|
|
CA
|
G:LEU788
|
4.5
|
46.4
|
1.0
|
|
CA
|
G:ILE789
|
4.6
|
36.1
|
1.0
|
|
CD
|
G:LYS745
|
4.6
|
58.7
|
1.0
|
|
CA
|
G:MET790
|
4.6
|
39.6
|
1.0
|
|
CG
|
G:LYS745
|
4.7
|
56.1
|
1.0
|
|
CA
|
G:ILE744
|
4.8
|
46.6
|
1.0
|
|
CBG
|
G:8161101
|
4.8
|
59.4
|
1.0
|
|
CB
|
G:ALA743
|
4.9
|
47.7
|
1.0
|
|
N
|
G:ILE744
|
4.9
|
43.8
|
1.0
|
|
CBJ
|
G:8161101
|
4.9
|
47.5
|
1.0
|
|
O
|
G:ILE789
|
5.0
|
51.9
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 5gty
Go back to
Chlorine Binding Sites List in 5gty
Chlorine binding site 7 out
of 8 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl1101
b:47.5
occ:1.00
|
CLA
|
H:8161101
|
0.0
|
47.5
|
1.0
|
|
CBF
|
H:8161101
|
1.6
|
49.4
|
1.0
|
|
CBI
|
H:8161101
|
2.6
|
46.3
|
1.0
|
|
CAN
|
H:8161101
|
2.6
|
51.8
|
1.0
|
|
OBA
|
H:8161101
|
2.8
|
56.1
|
1.0
|
|
O
|
H:LEU788
|
3.3
|
45.7
|
1.0
|
|
O
|
H:ALA743
|
3.5
|
37.5
|
1.0
|
|
N
|
H:LYS745
|
3.6
|
35.2
|
1.0
|
|
CB
|
H:LEU788
|
3.8
|
44.4
|
1.0
|
|
C
|
H:LEU788
|
3.8
|
44.5
|
1.0
|
|
CB
|
H:LYS745
|
3.8
|
51.0
|
1.0
|
|
CBH
|
H:8161101
|
3.9
|
51.0
|
1.0
|
|
CAM
|
H:8161101
|
3.9
|
45.6
|
1.0
|
|
CB
|
H:MET790
|
4.0
|
37.7
|
1.0
|
|
C
|
H:ILE744
|
4.2
|
41.8
|
1.0
|
|
CG
|
H:MET790
|
4.2
|
42.6
|
1.0
|
|
CAT
|
H:8161101
|
4.2
|
59.7
|
1.0
|
|
C
|
H:ALA743
|
4.2
|
35.7
|
1.0
|
|
CA
|
H:ILE744
|
4.2
|
38.2
|
1.0
|
|
N
|
H:MET790
|
4.3
|
36.2
|
1.0
|
|
CA
|
H:LYS745
|
4.3
|
41.0
|
1.0
|
|
NAB
|
H:8161101
|
4.3
|
51.4
|
1.0
|
|
N
|
H:ILE789
|
4.4
|
34.6
|
1.0
|
|
CAL
|
H:8161101
|
4.4
|
49.6
|
1.0
|
|
CA
|
H:LEU788
|
4.4
|
46.2
|
1.0
|
|
C
|
H:ILE789
|
4.4
|
33.6
|
1.0
|
|
N
|
H:ILE744
|
4.5
|
37.3
|
1.0
|
|
CA
|
H:ILE789
|
4.5
|
28.1
|
1.0
|
|
SD
|
H:MET790
|
4.7
|
50.7
|
1.0
|
|
CG
|
H:LYS745
|
4.7
|
53.7
|
1.0
|
|
CA
|
H:MET790
|
4.8
|
36.2
|
1.0
|
|
NAY
|
H:8161101
|
4.9
|
47.1
|
1.0
|
|
CE
|
H:LYS745
|
4.9
|
55.9
|
1.0
|
|
CBJ
|
H:8161101
|
4.9
|
44.9
|
1.0
|
|
CD1
|
H:LEU788
|
5.0
|
52.4
|
1.0
|
|
O
|
H:ILE789
|
5.0
|
41.0
|
1.0
|
|
CG
|
H:LEU788
|
5.0
|
54.7
|
1.0
|
|
Chlorine binding site 8 out
of 8 in 5gty
Go back to
Chlorine Binding Sites List in 5gty
Chlorine binding site 8 out
of 8 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of Egfr 696-1022 T790M in Complex with Lxx-6-26 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1101
b:49.2
occ:1.00
|
CLA
|
C:8161101
|
0.0
|
49.2
|
1.0
|
|
CBF
|
C:8161101
|
1.6
|
46.3
|
1.0
|
|
CBI
|
C:8161101
|
2.6
|
47.0
|
1.0
|
|
CAN
|
C:8161101
|
2.6
|
47.9
|
1.0
|
|
OBA
|
C:8161101
|
2.7
|
50.2
|
1.0
|
|
O
|
C:ALA743
|
3.3
|
44.9
|
1.0
|
|
O
|
C:LEU788
|
3.3
|
45.2
|
1.0
|
|
CG
|
C:MET790
|
3.4
|
41.7
|
1.0
|
|
CAM
|
C:8161101
|
3.8
|
48.0
|
1.0
|
|
CB
|
C:LYS745
|
3.9
|
52.4
|
1.0
|
|
CBH
|
C:8161101
|
3.9
|
46.8
|
1.0
|
|
N
|
C:LYS745
|
3.9
|
47.9
|
1.0
|
|
C
|
C:ALA743
|
3.9
|
44.7
|
1.0
|
|
N
|
C:MET790
|
4.0
|
38.2
|
1.0
|
|
CAT
|
C:8161101
|
4.1
|
53.5
|
1.0
|
|
CB
|
C:MET790
|
4.1
|
35.1
|
1.0
|
|
C
|
C:LEU788
|
4.2
|
46.3
|
1.0
|
|
C
|
C:ILE744
|
4.2
|
49.3
|
1.0
|
|
CAL
|
C:8161101
|
4.4
|
48.3
|
1.0
|
|
CA
|
C:ILE744
|
4.4
|
43.5
|
1.0
|
|
N
|
C:ILE744
|
4.4
|
48.2
|
1.0
|
|
NAB
|
C:8161101
|
4.5
|
53.1
|
1.0
|
|
CB
|
C:ALA743
|
4.5
|
40.4
|
1.0
|
|
CA
|
C:LYS745
|
4.5
|
47.8
|
1.0
|
|
C
|
C:ILE789
|
4.5
|
44.2
|
1.0
|
|
CA
|
C:ILE789
|
4.6
|
43.0
|
1.0
|
|
SD
|
C:MET790
|
4.6
|
36.2
|
1.0
|
|
CA
|
C:MET790
|
4.6
|
36.1
|
1.0
|
|
N
|
C:ILE789
|
4.7
|
42.7
|
1.0
|
|
CB
|
C:LEU788
|
4.8
|
51.6
|
1.0
|
|
O
|
C:ILE744
|
4.8
|
56.1
|
1.0
|
|
CG
|
C:LYS745
|
4.8
|
55.6
|
1.0
|
|
NAY
|
C:8161101
|
4.8
|
45.4
|
1.0
|
|
CA
|
C:ALA743
|
4.9
|
42.2
|
1.0
|
|
CD
|
C:LYS745
|
4.9
|
60.6
|
1.0
|
|
CBG
|
C:8161101
|
5.0
|
51.0
|
1.0
|
|
O
|
C:MET790
|
5.0
|
46.7
|
1.0
|
|
CBJ
|
C:8161101
|
5.0
|
50.8
|
1.0
|
|
Reference:
C.Hu,
A.Wang,
H.Wu,
Z.Qi,
X.Li,
X.E.Yan,
C.Chen,
K.Yu,
F.Zou,
W.Wang,
W.Wang,
J.Wu,
J.Liu,
B.Wang,
L.Wang,
T.Ren,
S.Zhang,
C.H.Yun,
J.Liu,
Q.Liu.
Discovery and Characterization of A Novel Irreversible Egfr Mutants Selective and Potent Kinase Inhibitor Chmfl-Egfr-26 with A Distinct Binding Mode. Oncotarget V. 8 18359 2017.
ISSN: ESSN 1949-2553
PubMed: 28407693
DOI: 10.18632/ONCOTARGET.15443
Page generated: Fri Jul 26 08:33:48 2024
|
