Atomistry » Fluorine » PDB 2bcj-2dux » 2c5b
Atomistry »
  Fluorine »
    PDB 2bcj-2dux »
      2c5b »

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: Sun Dec 13 11:35:20 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy