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Fluorine in PDB 3qlf: Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5

Enzymatic activity of Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5

All present enzymatic activity of Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5:
2.7.10.2;

Protein crystallography data

The structure of Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5, PDB code: 3qlf was solved by R.Boubeva, L.Pernot, R.Perozzo, L.Scapozza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.95 / 2.75
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 42.268, 63.495, 73.451, 79.48, 90.09, 89.41
R / Rfree (%) 19.2 / 23.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5 (pdb code 3qlf). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5, PDB code: 3qlf:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3qlf

Go back to Fluorine Binding Sites List in 3qlf
Fluorine binding site 1 out of 6 in the Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:54.1
occ:1.00
FAF A:PD5601 0.0 54.1 1.0
CBG A:PD5601 1.3 54.1 1.0
FAE A:PD5601 2.1 54.1 1.0
FAG A:PD5601 2.2 54.1 1.0
CBA A:PD5601 2.4 54.1 1.0
CD1 A:ILE317 3.0 54.6 1.0
CAK A:PD5601 3.0 54.1 1.0
CAP A:PD5601 3.4 54.1 1.0
CG2 A:ILE317 3.8 28.2 1.0
CE2 A:PHE405 3.9 95.5 1.0
CG1 A:ILE317 4.2 46.4 1.0
CD2 A:PHE405 4.2 0.7 1.0
CB A:ILE317 4.2 49.2 1.0
CD1 A:LEU322 4.3 33.4 1.0
CAH A:PD5601 4.3 54.1 1.0
CAY A:PD5601 4.6 54.1 1.0
CG A:MET314 4.7 55.4 1.0
CB A:LEU322 4.7 14.6 1.0
O A:VAL323 4.8 30.2 1.0

Fluorine binding site 2 out of 6 in 3qlf

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Fluorine binding site 2 out of 6 in the Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:54.1
occ:1.00
FAG A:PD5601 0.0 54.1 1.0
CBG A:PD5601 1.4 54.1 1.0
FAF A:PD5601 2.2 54.1 1.0
FAE A:PD5601 2.2 54.1 1.0
CBA A:PD5601 2.4 54.1 1.0
CD2 A:PHE405 2.8 0.7 1.0
CAK A:PD5601 3.0 54.1 1.0
CE2 A:PHE405 3.1 95.5 1.0
CAP A:PD5601 3.5 54.1 1.0
CG A:PHE405 4.0 0.2 1.0
N A:ASP404 4.0 65.3 1.0
C A:ALA403 4.1 51.4 1.0
CD2 A:HIS384 4.1 38.2 1.0
NE2 A:HIS384 4.2 31.0 1.0
N A:PHE405 4.2 95.4 1.0
CD1 A:ILE317 4.3 54.6 1.0
CAH A:PD5601 4.3 54.1 1.0
CA A:ALA403 4.4 39.0 1.0
O A:ALA403 4.4 40.9 1.0
CZ A:PHE405 4.5 0.6 1.0
CB A:PHE405 4.5 0.1 1.0
CG1 A:VAL402 4.5 13.2 1.0
N A:ALA403 4.7 36.1 1.0
CAY A:PD5601 4.7 54.1 1.0
C A:ASP404 4.8 68.4 1.0
CA A:ASP404 4.8 56.3 1.0
O A:VAL402 4.9 19.0 1.0
C A:VAL402 4.9 21.6 1.0
CD1 A:LEU322 4.9 33.4 1.0
CA A:PHE405 5.0 0.6 1.0

Fluorine binding site 3 out of 6 in 3qlf

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Fluorine binding site 3 out of 6 in the Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:54.1
occ:1.00
FAE A:PD5601 0.0 54.1 1.0
CBG A:PD5601 1.4 54.1 1.0
FAF A:PD5601 2.1 54.1 1.0
FAG A:PD5601 2.2 54.1 1.0
CBA A:PD5601 2.5 54.1 1.0
CAP A:PD5601 2.8 54.1 1.0
CA A:ALA403 3.5 39.0 1.0
N A:ASP404 3.5 65.3 1.0
O A:VAL402 3.7 19.0 1.0
C A:ALA403 3.7 51.4 1.0
CAK A:PD5601 3.7 54.1 1.0
N A:ALA403 4.1 36.1 1.0
OAD A:PD5601 4.1 54.1 1.0
C A:VAL402 4.2 21.6 1.0
CAY A:PD5601 4.2 54.1 1.0
O A:VAL323 4.2 30.2 1.0
N A:VAL323 4.4 28.1 1.0
CB A:ALA403 4.6 24.9 1.0
O A:ALA403 4.6 40.9 1.0
CB A:LEU322 4.6 14.6 1.0
CB A:VAL323 4.6 34.2 1.0
CA A:ASP404 4.7 56.3 1.0
CD2 A:PHE405 4.8 0.7 1.0
CAH A:PD5601 4.9 54.1 1.0
CA A:VAL323 4.9 30.6 1.0
CAV A:PD5601 5.0 54.1 1.0

Fluorine binding site 4 out of 6 in 3qlf

Go back to Fluorine Binding Sites List in 3qlf
Fluorine binding site 4 out of 6 in the Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:41.5
occ:1.00
FAF B:PD5601 0.0 41.5 1.0
CBG B:PD5601 1.3 41.5 1.0
FAE B:PD5601 2.2 41.5 1.0
FAG B:PD5601 2.2 41.5 1.0
CBA B:PD5601 2.3 41.5 1.0
CAK B:PD5601 3.1 41.5 1.0
CAP B:PD5601 3.2 41.5 1.0
CB B:GLU310 3.7 0.7 1.0
O B:ALA306 4.3 0.5 1.0
CAH B:PD5601 4.3 41.5 1.0
CAY B:PD5601 4.4 41.5 1.0
O B:PHE405 4.8 0.6 1.0
CD1 B:ILE336 4.8 54.9 1.0
CAJ B:PD5601 4.9 41.5 1.0

Fluorine binding site 5 out of 6 in 3qlf

Go back to Fluorine Binding Sites List in 3qlf
Fluorine binding site 5 out of 6 in the Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:41.5
occ:1.00
FAG B:PD5601 0.0 41.5 1.0
CBG B:PD5601 1.4 41.5 1.0
FAF B:PD5601 2.2 41.5 1.0
FAE B:PD5601 2.2 41.5 1.0
CBA B:PD5601 2.4 41.5 1.0
CAK B:PD5601 2.7 41.5 1.0
O B:ALA306 3.3 0.5 1.0
CD1 B:ILE336 3.4 54.9 1.0
CD1 B:LEU297 3.5 30.8 1.0
CAP B:PD5601 3.6 41.5 1.0
CAH B:PD5601 4.0 41.5 1.0
CB B:GLU310 4.4 0.7 1.0
C B:ALA306 4.4 0.1 1.0
CAY B:PD5601 4.6 41.5 1.0
CA B:PHE307 4.7 70.6 1.0
CG1 B:ILE336 4.7 41.3 1.0
CG B:LEU297 4.7 63.5 1.0
CAJ B:PD5601 4.8 41.5 1.0
CD2 B:LEU297 5.0 70.4 1.0

Fluorine binding site 6 out of 6 in 3qlf

Go back to Fluorine Binding Sites List in 3qlf
Fluorine binding site 6 out of 6 in the Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the L317I Mutant of the C-Src Tyrosine Kinase Domain Complexed with Pyrazolopyrimidine 5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:41.5
occ:1.00
FAE B:PD5601 0.0 41.5 1.0
CBG B:PD5601 1.4 41.5 1.0
FAF B:PD5601 2.2 41.5 1.0
FAG B:PD5601 2.2 41.5 1.0
CBA B:PD5601 2.4 41.5 1.0
CAP B:PD5601 2.8 41.5 1.0
CAK B:PD5601 3.6 41.5 1.0
CD1 B:LEU297 3.7 30.8 1.0
CD1 B:ILE336 3.7 54.9 1.0
CD2 B:LEU297 3.8 70.4 1.0
CAY B:PD5601 4.2 41.5 1.0
CD B:LYS295 4.3 50.7 1.0
CG B:LEU297 4.3 63.5 1.0
NZ B:LYS295 4.3 52.0 1.0
OAD B:PD5601 4.7 41.5 1.0
CAH B:PD5601 4.8 41.5 1.0
CE B:LYS295 4.9 53.0 1.0
CAJ B:PD5601 5.0 41.5 1.0

Reference:

R.Boubeva, L.Pernot, A.Cristiani, L.Moretti, A.Berteotti, R.Perozzo, F.Gervasio, L.Scapozza. A Single Amino-Acid Dictates the Dynamics of the Switch Between Active and Inactive C-Src Conformation To Be Published.
Page generated: Mon Jul 14 18:58:49 2025

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