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Magnesium in PDB 4rwk: Crystal Structure of V561M FGFR1 Gatekeeper Mutation (C488A, C584S, V561M) in Complex with N-{3-[2-(3,5-Dimethoxyphenyl)Ethyl]-1H- Pyrazol-5-Yl}-4-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]Benzamide (AZD4547)
Enzymatic activity of Crystal Structure of V561M FGFR1 Gatekeeper Mutation (C488A, C584S, V561M) in Complex with N-{3-[2-(3,5-Dimethoxyphenyl)Ethyl]-1H- Pyrazol-5-Yl}-4-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]Benzamide (AZD4547)
All present enzymatic activity of Crystal Structure of V561M FGFR1 Gatekeeper Mutation (C488A, C584S, V561M) in Complex with N-{3-[2-(3,5-Dimethoxyphenyl)Ethyl]-1H- Pyrazol-5-Yl}-4-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]Benzamide (AZD4547):
2.7.10.1;
2.7.10.1;
Protein crystallography data
The structure of Crystal Structure of V561M FGFR1 Gatekeeper Mutation (C488A, C584S, V561M) in Complex with N-{3-[2-(3,5-Dimethoxyphenyl)Ethyl]-1H- Pyrazol-5-Yl}-4-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]Benzamide (AZD4547), PDB code: 4rwk
was solved by
C.D.Sohl,
K.S.Anderson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 47.98 / 2.98 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 211.424, 49.397, 66.502, 90.00, 107.26, 90.00 |
| R / Rfree (%) | 23.8 / 29.9 |
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of V561M FGFR1 Gatekeeper Mutation (C488A, C584S, V561M) in Complex with N-{3-[2-(3,5-Dimethoxyphenyl)Ethyl]-1H- Pyrazol-5-Yl}-4-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]Benzamide (AZD4547)
(pdb code 4rwk). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of V561M FGFR1 Gatekeeper Mutation (C488A, C584S, V561M) in Complex with N-{3-[2-(3,5-Dimethoxyphenyl)Ethyl]-1H- Pyrazol-5-Yl}-4-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]Benzamide (AZD4547), PDB code: 4rwk:
In total only one binding site of Magnesium was determined in the Crystal Structure of V561M FGFR1 Gatekeeper Mutation (C488A, C584S, V561M) in Complex with N-{3-[2-(3,5-Dimethoxyphenyl)Ethyl]-1H- Pyrazol-5-Yl}-4-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]Benzamide (AZD4547), PDB code: 4rwk:
Magnesium binding site 1 out of 1 in 4rwk
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Magnesium Binding Sites List in 4rwk
Magnesium binding site 1 out
of 1 in the Crystal Structure of V561M FGFR1 Gatekeeper Mutation (C488A, C584S, V561M) in Complex with N-{3-[2-(3,5-Dimethoxyphenyl)Ethyl]-1H- Pyrazol-5-Yl}-4-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]Benzamide (AZD4547)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of V561M FGFR1 Gatekeeper Mutation (C488A, C584S, V561M) in Complex with N-{3-[2-(3,5-Dimethoxyphenyl)Ethyl]-1H- Pyrazol-5-Yl}-4-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]Benzamide (AZD4547) within 5.0Å range:
|
Reference:
C.D.Sohl,
M.R.Ryan,
B.Luo,
K.M.Frey,
K.S.Anderson.
Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance For the FGFR1 Gatekeeper Mutation: the Achilles' Heel of Targeted Therapy. Acs Chem.Biol. V. 10 1319 2015.
ISSN: ISSN 1554-8929
PubMed: 25686244
DOI: 10.1021/ACSCHEMBIO.5B00014
Page generated: Mon Dec 14 19:32:26 2020
ISSN: ISSN 1554-8929
PubMed: 25686244
DOI: 10.1021/ACSCHEMBIO.5B00014
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