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PDB 3qrj-3rgf »
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Fluorine in PDB 3rcd: HER2 Kinase Domain Complexed with Tak-285
Enzymatic activity of HER2 Kinase Domain Complexed with Tak-285
All present enzymatic activity of HER2 Kinase Domain Complexed with Tak-285:
2.7.10.1;
2.7.10.1;
Protein crystallography data
The structure of HER2 Kinase Domain Complexed with Tak-285, PDB code: 3rcd
was solved by
K.Aertgeerts,
R.Skene,
S.Sogabe,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 40.00 / 3.21 |
| Space group | P 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 50.542, 64.936, 92.360, 90.42, 89.72, 90.35 |
| R / Rfree (%) | 22.4 / 29.4 |
Other elements in 3rcd:
The structure of HER2 Kinase Domain Complexed with Tak-285 also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the HER2 Kinase Domain Complexed with Tak-285
(pdb code 3rcd). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the HER2 Kinase Domain Complexed with Tak-285, PDB code: 3rcd:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the HER2 Kinase Domain Complexed with Tak-285, PDB code: 3rcd:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 3rcd
Go back to
Fluorine Binding Sites List in 3rcd
Fluorine binding site 1 out
of 6 in the HER2 Kinase Domain Complexed with Tak-285
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of HER2 Kinase Domain Complexed with Tak-285 within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 3rcd
Go back to
Fluorine Binding Sites List in 3rcd
Fluorine binding site 2 out
of 6 in the HER2 Kinase Domain Complexed with Tak-285
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of HER2 Kinase Domain Complexed with Tak-285 within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 3rcd
Go back to
Fluorine Binding Sites List in 3rcd
Fluorine binding site 3 out
of 6 in the HER2 Kinase Domain Complexed with Tak-285
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of HER2 Kinase Domain Complexed with Tak-285 within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 3rcd
Go back to
Fluorine Binding Sites List in 3rcd
Fluorine binding site 4 out
of 6 in the HER2 Kinase Domain Complexed with Tak-285
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 4 of HER2 Kinase Domain Complexed with Tak-285 within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 3rcd
Go back to
Fluorine Binding Sites List in 3rcd
Fluorine binding site 5 out
of 6 in the HER2 Kinase Domain Complexed with Tak-285
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 5 of HER2 Kinase Domain Complexed with Tak-285 within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 3rcd
Go back to
Fluorine Binding Sites List in 3rcd
Fluorine binding site 6 out
of 6 in the HER2 Kinase Domain Complexed with Tak-285
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 6 of HER2 Kinase Domain Complexed with Tak-285 within 5.0Å range:
|
Reference:
T.Ishikawa,
M.Seto,
H.Banno,
Y.Kawakita,
M.Oorui,
T.Taniguchi,
Y.Ohta,
T.Tamura,
A.Nakayama,
H.Miki,
H.Kamiguchi,
T.Tanaka,
N.Habuka,
S.Sogabe,
J.Yano,
K.Aertgeerts,
K.Kamiyama.
Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (Egfr) Dual Inhibitors Bearing A Pyrrolo[3,2-D]Pyrimidine Scaffold. J.Med.Chem. V. 54 8030 2011.
ISSN: ISSN 0022-2623
PubMed: 22003817
DOI: 10.1021/JM2008634
Page generated: Mon Jul 14 19:06:33 2025
ISSN: ISSN 0022-2623
PubMed: 22003817
DOI: 10.1021/JM2008634
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