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Fluorine in PDB 2c5b: X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with 2'Deoxy-5'Deoxy- Fluoroadenosine.

Enzymatic activity of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with 2'Deoxy-5'Deoxy- Fluoroadenosine.

All present enzymatic activity of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with 2'Deoxy-5'Deoxy- Fluoroadenosine.:
2.5.1.63;

Protein crystallography data

The structure of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with 2'Deoxy-5'Deoxy- Fluoroadenosine., PDB code: 2c5b was solved by A.R.Mcewan, H.Deng, R.P.Mcglinchey, D.A.Robinson, D.O'hagan, J.H.Naismith, J.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.00 / 2.4
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 76.153, 129.669, 183.165, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 26.7

Fluorine Binding Sites:

The binding sites of Fluorine atom in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with 2'Deoxy-5'Deoxy- Fluoroadenosine. (pdb code 2c5b). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with 2'Deoxy-5'Deoxy- Fluoroadenosine., PDB code: 2c5b:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 2c5b

Go back to Fluorine Binding Sites List in 2c5b
Fluorine binding site 1 out of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with 2'Deoxy-5'Deoxy- Fluoroadenosine.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with 2'Deoxy-5'Deoxy- Fluoroadenosine. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F500

b:7.4
occ:1.00
 F19 A:5F1500 0.0 7.4 1.0
C5' A:5F1500 1.4 6.3 1.0
C4' A:5F1500 2.3 6.9 1.0
O4' A:5F1500 2.8 7.9 1.0
CA A:PHE156 2.9 4.9 1.0
O A:THR155 3.0 5.7 1.0
N A:TYR157 3.0 4.8 1.0
C A:PHE156 3.2 4.7 1.0
N A:SER158 3.4 5.7 1.0
CD1 A:PHE156 3.4 4.1 1.0
C A:THR155 3.6 5.5 1.0
N A:PHE156 3.6 5.2 1.0
C3' A:5F1500 3.6 5.5 1.0
OG1 A:THR80 3.7 8.5 1.0
CA A:TYR157 4.0 5.2 1.0
CB A:SER158 4.0 5.8 1.0
CB A:THR80 4.0 7.4 1.0
O A:PHE156 4.1 4.2 1.0
CB A:PHE156 4.1 5.0 1.0
OG A:SER158 4.1 4.6 1.0
C1' A:5F1500 4.1 7.5 1.0
C A:TYR157 4.2 5.5 1.0
SD A:MET600 4.2 4.7 1.0
CG A:PHE156 4.2 5.0 1.0
O3' A:5F1500 4.2 7.1 1.0
CG A:MET600 4.2 6.3 1.0
CA A:SER158 4.3 5.7 1.0
CE1 A:PHE156 4.3 4.9 1.0
CG2 A:THR80 4.5 6.0 1.0
CB A:TYR157 4.5 4.9 1.0
CB A:TYR77 4.5 5.0 1.0
C2' A:5F1500 4.6 7.0 1.0
O A:TYR77 4.8 6.1 1.0
CA A:THR155 4.9 5.6 1.0

Fluorine binding site 2 out of 3 in 2c5b

Go back to Fluorine Binding Sites List in 2c5b
Fluorine binding site 2 out of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with 2'Deoxy-5'Deoxy- Fluoroadenosine.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with 2'Deoxy-5'Deoxy- Fluoroadenosine. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F500

b:15.3
occ:1.00
 F19 B:5F1500 0.0 15.3 1.0
C5' B:5F1500 1.4 12.2 1.0
C4' B:5F1500 2.3 12.4 1.0
N B:SER158 2.8 5.8 1.0
N B:TYR157 3.0 5.6 1.0
CB B:SER158 3.2 5.4 1.0
C B:PHE156 3.2 5.6 1.0
O4' B:5F1500 3.3 12.9 1.0
CA B:PHE156 3.4 5.7 1.0
C3' B:5F1500 3.4 12.4 1.0
OG B:SER158 3.4 3.6 1.0
CD1 B:PHE156 3.6 5.7 1.0
CA B:SER158 3.6 5.5 1.0
O3' B:5F1500 3.6 12.1 1.0
O B:THR155 3.8 7.4 1.0
C B:TYR157 3.8 5.5 1.0
O B:PHE156 3.8 5.8 1.0
OG1 B:THR80 3.8 10.9 1.0
CA B:TYR157 3.8 5.4 1.0
CB B:TYR77 4.1 7.5 1.0
CB B:THR80 4.1 9.7 1.0
N B:PHE156 4.2 5.8 1.0
CE1 B:PHE156 4.3 3.7 1.0
C B:THR155 4.3 6.4 1.0
CB B:TYR157 4.4 4.9 1.0
CG B:PHE156 4.5 5.9 1.0
CG B:MET600 4.5 19.5 1.0
C1' B:5F1500 4.5 11.3 1.0
CB B:PHE156 4.5 5.4 1.0
CG2 B:THR80 4.5 10.9 1.0
C2' B:5F1500 4.6 12.5 1.0
N B:ARG159 4.6 6.3 1.0
C B:SER158 4.6 6.2 1.0
SD B:MET600 4.9 24.1 1.0
O B:TYR77 4.9 8.8 1.0
O B:TYR157 4.9 6.4 1.0
CD2 B:LEU17 4.9 3.1 1.0
CG B:TYR77 5.0 8.1 1.0

Fluorine binding site 3 out of 3 in 2c5b

Go back to Fluorine Binding Sites List in 2c5b
Fluorine binding site 3 out of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with 2'Deoxy-5'Deoxy- Fluoroadenosine.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with 2'Deoxy-5'Deoxy- Fluoroadenosine. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F500

b:6.6
occ:1.00
 F19 C:5F1500 0.0 6.6 1.0
C5' C:5F1500 1.4 4.6 1.0
C4' C:5F1500 2.4 5.1 1.0
N C:TYR157 3.0 5.6 1.0
CA C:PHE156 3.0 5.1 1.0
N C:SER158 3.1 6.0 1.0
C C:PHE156 3.1 5.4 1.0
O4' C:5F1500 3.2 5.2 1.0
O C:THR155 3.2 6.5 1.0
CD1 C:PHE156 3.3 4.4 1.0
C3' C:5F1500 3.6 6.0 1.0
CB C:SER158 3.6 6.4 1.0
OG C:SER158 3.8 5.9 1.0
N C:PHE156 3.8 5.3 1.0
C C:THR155 3.9 5.7 1.0
CA C:TYR157 3.9 5.5 1.0
O C:PHE156 3.9 5.7 1.0
C C:TYR157 3.9 5.5 1.0
CA C:SER158 3.9 6.1 1.0
O3' C:5F1500 4.0 6.7 1.0
OG1 C:THR80 4.0 5.4 1.0
CB C:PHE156 4.1 5.0 1.0
CG C:PHE156 4.1 4.1 1.0
CE1 C:PHE156 4.1 4.6 1.0
CB C:THR80 4.2 6.8 1.0
CB C:TYR77 4.3 6.1 1.0
CG C:MET600 4.4 13.8 1.0
C1' C:5F1500 4.5 6.7 1.0
SD C:MET600 4.5 15.1 1.0
CB C:TYR157 4.5 4.9 1.0
CG2 C:THR80 4.5 5.8 1.0
N C:ARG159 4.6 6.7 1.0
C2' C:5F1500 4.7 6.2 1.0
C C:SER158 4.9 6.2 1.0
O C:TYR77 4.9 8.0 1.0

Reference:

S.L.Cobb, H.Deng, A.R.Mcewan, J.H.Naismith, D.O'hagan, D.A.Robinson. Substrate Specificity in Enzymatic Fluorination. the Fluorinase From Streptomyces Cattleya Accepts 2'-Deoxyadenosine Substrates. Org.Biomol.Chem. V. 4 1458 2006.
ISSN: ISSN 1477-0520
PubMed: 16604208
DOI: 10.1039/B600574H
Page generated: Wed Jul 31 13:56:45 2024

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