Chlorine in PDB 5gtz: Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39
Enzymatic activity of Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39
All present enzymatic activity of Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39:
2.7.10.1;
Protein crystallography data
The structure of Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39, PDB code: 5gtz
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)
|
42.20 /
3.00
|
Space group
|
I 2 3
|
Cell size a, b, c (Å), α, β, γ (°)
|
146.177,
146.177,
146.177,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.9 /
23
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39
(pdb code 5gtz). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39, PDB code: 5gtz:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 5gtz
Go back to
Chlorine Binding Sites List in 5gtz
Chlorine binding site 1 out
of 6 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39
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 Jts-1-39 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1101
b:49.3
occ:1.00
|
CL5
|
A:81C1101
|
0.0
|
49.3
|
1.0
|
C5
|
A:81C1101
|
1.8
|
49.6
|
1.0
|
C6
|
A:81C1101
|
2.7
|
46.3
|
1.0
|
C4
|
A:81C1101
|
2.8
|
47.5
|
1.0
|
NBE
|
A:81C1101
|
2.9
|
49.5
|
1.0
|
CBR
|
A:81C1101
|
3.4
|
74.0
|
1.0
|
CB
|
A:ALA743
|
3.8
|
38.7
|
1.0
|
SD
|
A:MET790
|
3.8
|
60.0
|
1.0
|
CE
|
A:MET790
|
3.9
|
67.3
|
1.0
|
CAC
|
A:81C1101
|
4.0
|
69.8
|
1.0
|
N3
|
A:81C1101
|
4.0
|
43.9
|
1.0
|
N1
|
A:81C1101
|
4.0
|
47.3
|
1.0
|
CG
|
A:MET790
|
4.1
|
47.5
|
1.0
|
CAD
|
A:81C1101
|
4.2
|
65.5
|
1.0
|
CBK
|
A:81C1101
|
4.2
|
54.9
|
1.0
|
CB
|
A:MET790
|
4.3
|
49.5
|
1.0
|
CD1
|
A:LEU844
|
4.5
|
47.5
|
1.0
|
C2
|
A:81C1101
|
4.5
|
48.0
|
1.0
|
SBV
|
A:81C1101
|
4.7
|
66.0
|
1.0
|
O
|
A:GLN791
|
4.8
|
43.0
|
1.0
|
CG1
|
A:VAL726
|
4.9
|
49.3
|
1.0
|
CBQ
|
A:81C1101
|
4.9
|
57.7
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 5gtz
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Chlorine Binding Sites List in 5gtz
Chlorine binding site 2 out
of 6 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39
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 Jts-1-39 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1106
b:79.6
occ:1.00
|
CG
|
A:ARG776
|
3.3
|
52.4
|
0.5
|
CG
|
A:ARG776
|
3.4
|
52.4
|
0.5
|
NE
|
A:ARG776
|
3.5
|
51.9
|
0.5
|
NH1
|
A:ARG776
|
3.6
|
58.0
|
0.5
|
CD2
|
A:LEU778
|
3.8
|
44.8
|
1.0
|
O
|
A:TYR1016
|
3.8
|
50.5
|
1.0
|
CZ
|
A:ARG776
|
3.8
|
57.8
|
0.5
|
O
|
A:ALA1013
|
3.9
|
57.8
|
1.0
|
CD
|
A:ARG776
|
4.0
|
51.3
|
0.5
|
NH2
|
A:ARG776
|
4.1
|
54.3
|
0.5
|
CZ
|
A:ARG776
|
4.1
|
51.6
|
0.5
|
CD
|
A:ARG776
|
4.2
|
51.0
|
0.5
|
CB
|
A:ARG776
|
4.3
|
52.5
|
0.5
|
NE
|
A:ARG776
|
4.4
|
53.2
|
0.5
|
CB
|
A:ARG776
|
4.5
|
51.5
|
0.5
|
O
|
A:HOH1239
|
4.5
|
63.6
|
1.0
|
NH1
|
A:ARG776
|
4.5
|
54.1
|
0.5
|
C
|
A:ALA1013
|
4.8
|
53.4
|
1.0
|
CD1
|
A:LEU1017
|
4.9
|
53.0
|
1.0
|
NH2
|
A:ARG776
|
5.0
|
41.7
|
0.5
|
CB
|
A:ALA1013
|
5.0
|
52.0
|
1.0
|
CG
|
A:LEU778
|
5.0
|
43.0
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 5gtz
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Chlorine Binding Sites List in 5gtz
Chlorine binding site 3 out
of 6 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39
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 Jts-1-39 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1107
b:84.4
occ:1.00
|
N
|
A:GLY721
|
3.9
|
94.3
|
1.0
|
CG2
|
A:VAL726
|
4.0
|
64.9
|
1.0
|
CA
|
A:GLY721
|
4.1
|
98.0
|
1.0
|
O
|
A:GLY724
|
4.2
|
99.2
|
1.0
|
OAI
|
A:81C1101
|
4.3
|
71.6
|
1.0
|
C
|
A:GLY724
|
4.5
|
96.9
|
1.0
|
O
|
A:GLY719
|
4.5
|
65.3
|
1.0
|
C
|
A:SER720
|
4.6
|
90.6
|
1.0
|
CAO
|
A:81C1101
|
4.9
|
51.1
|
1.0
|
C
|
A:GLY719
|
4.9
|
71.8
|
1.0
|
CA
|
A:GLY724
|
4.9
|
0.9
|
1.0
|
N
|
A:THR725
|
5.0
|
92.0
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 5gtz
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Chlorine Binding Sites List in 5gtz
Chlorine binding site 4 out
of 6 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39
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 Jts-1-39 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1108
b:91.4
occ:1.00
|
N
|
A:GLY735
|
2.5
|
78.2
|
1.0
|
CA
|
A:GLU734
|
2.9
|
88.5
|
1.0
|
C
|
A:GLU734
|
3.2
|
85.0
|
1.0
|
O
|
A:PRO733
|
3.3
|
74.3
|
1.0
|
CA
|
A:GLY735
|
3.7
|
78.2
|
1.0
|
CG
|
A:GLU734
|
3.7
|
80.5
|
1.0
|
CB
|
A:GLU734
|
3.8
|
84.0
|
1.0
|
N
|
A:GLU734
|
3.8
|
81.2
|
1.0
|
C
|
A:PRO733
|
3.9
|
77.8
|
1.0
|
O
|
A:HOH1227
|
4.0
|
71.6
|
1.0
|
O
|
A:GLU734
|
4.4
|
82.2
|
1.0
|
N
|
A:GLU736
|
4.6
|
81.9
|
1.0
|
C
|
A:GLY735
|
4.6
|
82.3
|
1.0
|
O
|
A:ILE732
|
4.7
|
65.3
|
1.0
|
CD
|
A:GLU734
|
4.8
|
85.8
|
0.0
|
CG2
|
A:ILE732
|
4.8
|
63.5
|
1.0
|
OE1
|
A:GLU734
|
5.0
|
92.4
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 5gtz
Go back to
Chlorine Binding Sites List in 5gtz
Chlorine binding site 5 out
of 6 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39
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 Jts-1-39 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1109
b:77.7
occ:1.00
|
NZ
|
A:LYS713
|
3.2
|
88.8
|
1.0
|
O
|
A:THR710
|
3.6
|
58.3
|
1.0
|
CD1
|
A:ILE732
|
3.9
|
66.2
|
1.0
|
CE
|
A:LYS713
|
4.3
|
94.8
|
1.0
|
O
|
A:GLU711
|
4.5
|
53.4
|
1.0
|
C
|
A:GLU711
|
4.6
|
53.0
|
1.0
|
N
|
A:PHE712
|
4.6
|
50.6
|
1.0
|
CB
|
A:LYS713
|
4.7
|
68.3
|
1.0
|
C
|
A:PHE712
|
4.7
|
59.3
|
1.0
|
N
|
A:LYS713
|
4.7
|
62.0
|
1.0
|
CA
|
A:PHE712
|
4.7
|
53.9
|
1.0
|
C
|
A:THR710
|
4.8
|
57.1
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 5gtz
Go back to
Chlorine Binding Sites List in 5gtz
Chlorine binding site 6 out
of 6 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39
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 Jts-1-39 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1110
b:81.8
occ:1.00
|
O
|
A:HOH1246
|
4.0
|
46.9
|
1.0
|
|
Reference:
X.E.Yan,
C.H.Yun.
Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39 To Be Published.
Page generated: Fri Jul 26 08:34:05 2024
|