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Fluorine in PDB 5yy1: Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739
Protein crystallography data
The structure of Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739, PDB code: 5yy1
was solved by
S.Swaminathan,
M.K.Thakur,
S.Kandan,
A.Gautam,
M.Kanavalli,
P.Simhadri,
R.Gosu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 44.77 / 1.69 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 40.391, 51.730, 89.242, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 19.7 / 23.5 |
Other elements in 5yy1:
The structure of Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739 also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739
(pdb code 5yy1). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739, PDB code: 5yy1:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739, PDB code: 5yy1:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 5yy1
Go back to
Fluorine Binding Sites List in 5yy1
Fluorine binding site 1 out
of 4 in the Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739
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 Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739 within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 5yy1
Go back to
Fluorine Binding Sites List in 5yy1
Fluorine binding site 2 out
of 4 in the Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739
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 Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739 within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 5yy1
Go back to
Fluorine Binding Sites List in 5yy1
Fluorine binding site 3 out
of 4 in the Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739
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 Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739 within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 5yy1
Go back to
Fluorine Binding Sites List in 5yy1
Fluorine binding site 4 out
of 4 in the Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739
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 Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739 within 5.0Å range:
|
Reference:
S.Swaminathan,
M.K.Thakur,
S.Kandan,
A.Gautam,
M.Kanavalli,
P.Simhadri,
R.Gosu.
Co-Crystal Structure of Kras (G12C) Covalently Bound with Quinazoline Based Inhibitor JBI739 To Be Published.
Page generated: Tue Jul 15 09:32:10 2025
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