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Fluorine in PDB 2ycp: F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine

Enzymatic activity of F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine

All present enzymatic activity of F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine:
4.1.99.2;

Protein crystallography data

The structure of F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine, PDB code: 2ycp was solved by D.Milic, T.V.Demidkina, N.G.Faleev, R.S.Phillips, D.Matkovic-Calogovic, A.A.Antson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 136.423, 143.757, 118.543, 90.00, 90.00, 90.00
R / Rfree (%) 14.1 / 17.5

Other elements in 2ycp:

The structure of F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine also contains other interesting chemical elements:

Potassium (K) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine (pdb code 2ycp). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine, PDB code: 2ycp:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 2ycp

Go back to Fluorine Binding Sites List in 2ycp
Fluorine binding site 1 out of 4 in the F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F600

b:21.3
occ:1.00
F A:P61600 0.0 21.3 1.0
CE1 A:P61600 1.3 17.4 1.0
CZ A:P61600 2.3 18.8 1.0
CD1 A:P61600 2.4 17.3 1.0
OH A:P61600 2.6 18.3 1.0
NH2 A:ARG381 2.9 13.7 1.0
SD A:MET379 3.2 19.0 1.0
CZ A:PHE36 3.3 16.6 1.0
CZ A:ARG381 3.3 18.4 1.0
NH1 A:ARG381 3.3 16.2 1.0
CE A:MET379 3.4 12.8 1.0
CE1 A:PHE449 3.5 14.9 1.0
CD2 A:HIS448 3.6 15.1 1.0
CE2 A:P61600 3.6 20.9 1.0
CG A:P61600 3.6 16.4 1.0
NE2 A:HIS448 3.8 19.4 1.0
CE1 A:PHE36 3.9 19.4 1.0
CZ A:PHE449 4.1 15.5 1.0
CD2 A:P61600 4.1 18.1 1.0
CD1 A:PHE449 4.3 21.3 1.0
NE A:ARG381 4.3 14.6 1.0
CE2 A:PHE36 4.4 18.2 1.0
CG A:MET379 4.5 15.5 1.0
O A:P61600 4.6 14.9 1.0
CB A:P61600 4.9 18.0 1.0
CG A:HIS448 4.9 14.8 1.0
C A:P61600 4.9 18.8 1.0

Fluorine binding site 2 out of 4 in 2ycp

Go back to Fluorine Binding Sites List in 2ycp
Fluorine binding site 2 out of 4 in the F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F600

b:23.8
occ:1.00
F B:P61600 0.0 23.8 1.0
CE1 B:P61600 1.3 15.2 1.0
CD1 B:P61600 2.3 12.8 1.0
CZ B:P61600 2.4 14.0 1.0
OH B:P61600 2.8 18.3 1.0
NH2 B:ARG381 3.1 20.2 1.0
CZ B:PHE36 3.1 19.2 1.0
SD B:MET379 3.2 20.9 1.0
CE B:MET379 3.4 17.8 1.0
CE1 B:PHE449 3.4 18.8 1.0
CZ B:ARG381 3.5 19.3 1.0
NH1 B:ARG381 3.5 17.0 1.0
CG B:P61600 3.6 18.1 1.0
CE2 B:P61600 3.6 17.0 1.0
CD2 B:HIS448 3.7 20.0 1.0
CE1 B:PHE36 3.7 19.9 1.0
NE2 B:HIS448 3.7 20.7 1.0
CZ B:PHE449 4.1 19.4 1.0
CD2 B:P61600 4.1 19.4 1.0
CD1 B:PHE449 4.1 17.1 1.0
CE2 B:PHE36 4.2 20.1 1.0
CG B:MET379 4.4 14.4 1.0
NE B:ARG381 4.4 19.9 1.0
O B:P61600 4.6 17.2 1.0
CB B:P61600 4.8 18.8 1.0
C B:P61600 4.9 18.7 1.0

Fluorine binding site 3 out of 4 in 2ycp

Go back to Fluorine Binding Sites List in 2ycp
Fluorine binding site 3 out of 4 in the F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F600

b:17.9
occ:1.00
F C:P61600 0.0 17.9 1.0
CE1 C:P61600 1.3 21.3 1.0
CZ C:P61600 2.3 17.9 1.0
CD1 C:P61600 2.4 14.0 1.0
OH C:P61600 2.6 18.4 1.0
NH2 C:ARG381 3.0 17.0 1.0
SD C:MET379 3.2 20.7 1.0
CZ C:PHE36 3.3 19.4 1.0
NH1 C:ARG381 3.3 15.6 1.0
CZ C:ARG381 3.3 21.8 1.0
CE1 C:PHE449 3.4 19.2 1.0
CE C:MET379 3.5 12.6 1.0
CE2 C:P61600 3.6 19.4 1.0
NE2 C:HIS448 3.6 18.8 1.0
CG C:P61600 3.7 16.5 1.0
CD2 C:HIS448 3.7 15.2 1.0
CE1 C:PHE36 3.9 16.1 1.0
CZ C:PHE449 4.0 17.1 1.0
CD2 C:P61600 4.1 15.3 1.0
CD1 C:PHE449 4.3 17.2 1.0
NE C:ARG381 4.3 18.1 1.0
CE2 C:PHE36 4.4 16.9 1.0
CG C:MET379 4.5 13.2 1.0
O C:P61600 4.6 15.6 1.0
C C:P61600 4.9 16.5 1.0
CB C:P61600 4.9 15.1 1.0
CE1 C:HIS448 4.9 19.8 1.0
CG C:HIS448 5.0 17.4 1.0

Fluorine binding site 4 out of 4 in 2ycp

Go back to Fluorine Binding Sites List in 2ycp
Fluorine binding site 4 out of 4 in the F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of F448H Mutant of Tyrosine Phenol-Lyase From Citrobacter Freundii in Complex with Quinonoid Intermediate Formed with 3-Fluoro-L-Tyrosine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F600

b:19.6
occ:1.00
F D:P61600 0.0 19.6 1.0
CE1 D:P61600 1.3 17.4 1.0
CZ D:P61600 2.3 17.9 1.0
CD1 D:P61600 2.4 12.4 1.0
OH D:P61600 2.6 18.0 1.0
NH2 D:ARG381 3.1 15.7 1.0
CZ D:PHE36 3.2 14.8 1.0
SD D:MET379 3.3 18.9 1.0
CE1 D:PHE449 3.3 15.8 1.0
NH1 D:ARG381 3.4 16.1 1.0
CE D:MET379 3.4 16.6 1.0
CZ D:ARG381 3.5 19.1 1.0
CE2 D:P61600 3.6 16.4 1.0
CG D:P61600 3.6 13.3 1.0
CD2 D:HIS448 3.6 18.0 1.0
NE2 D:HIS448 3.7 17.9 1.0
CE1 D:PHE36 3.9 16.2 1.0
CZ D:PHE449 3.9 16.4 1.0
CD2 D:P61600 4.1 15.1 1.0
CD1 D:PHE449 4.2 16.9 1.0
CE2 D:PHE36 4.2 18.2 1.0
NE D:ARG381 4.5 17.7 1.0
CG D:MET379 4.5 16.2 1.0
O D:P61600 4.7 17.5 1.0
CB D:P61600 4.9 14.2 1.0
C D:P61600 4.9 17.7 1.0
CG D:HIS448 5.0 17.5 1.0
CE1 D:HIS448 5.0 15.9 1.0

Reference:

D.Milic, T.V.Demidkina, N.G.Faleev, R.S.Phillips, D.Matkovic-Calogovic, A.A.Antson. Crystallographic Snapshots of Tyrosine Phenol-Lyase Show That Substrate Strain Plays A Role in C-C Bond Cleavage J.Am.Chem.Soc. V. 133 16468 2011.
ISSN: ISSN 0002-7863
PubMed: 21899319
DOI: 10.1021/JA203361G
Page generated: Sun Dec 13 11:42:16 2020

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