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Fluorine in PDB 4dc3: Adenosine Kinase From Schistosoma Mansoni in Complex with 2- Fluoroadenosine

Enzymatic activity of Adenosine Kinase From Schistosoma Mansoni in Complex with 2- Fluoroadenosine

All present enzymatic activity of Adenosine Kinase From Schistosoma Mansoni in Complex with 2- Fluoroadenosine:
2.7.1.20;

Protein crystallography data

The structure of Adenosine Kinase From Schistosoma Mansoni in Complex with 2- Fluoroadenosine, PDB code: 4dc3 was solved by L.Romanello, F.R.Bachega, R.C.Garatt, R.Demarco, J.Brandao-Neto, H.M.Pereira, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.61 / 2.40
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 59.350, 179.390, 79.740, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 22.9

Other elements in 4dc3:

The structure of Adenosine Kinase From Schistosoma Mansoni in Complex with 2- Fluoroadenosine also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Adenosine Kinase From Schistosoma Mansoni in Complex with 2- Fluoroadenosine (pdb code 4dc3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Adenosine Kinase From Schistosoma Mansoni in Complex with 2- Fluoroadenosine, PDB code: 4dc3:

Fluorine binding site 1 out of 1 in 4dc3

Go back to Fluorine Binding Sites List in 4dc3
Fluorine binding site 1 out of 1 in the Adenosine Kinase From Schistosoma Mansoni in Complex with 2- Fluoroadenosine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Adenosine Kinase From Schistosoma Mansoni in Complex with 2- Fluoroadenosine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:37.8
occ:1.00
 F B:2FA401 0.0 37.8 1.0
C2 B:2FA401 1.3 25.9 1.0
N3 B:2FA401 2.3 18.4 1.0
N1 B:2FA401 2.3 27.8 1.0
CL B:CL402 2.4 27.6 1.0
CB B:ASN14 3.1 28.2 1.0
ND2 B:ASN14 3.2 23.8 1.0
CG B:ASN14 3.5 25.7 1.0
O B:ASN14 3.5 27.6 1.0
C4 B:2FA401 3.5 20.6 1.0
C6 B:2FA401 3.5 23.7 1.0
CB B:PHE169 3.6 27.4 1.0
N B:ASN14 3.7 33.9 1.0
N B:ALA65 3.8 31.3 1.0
CA B:ASN14 3.8 29.3 1.0
C5 B:2FA401 4.0 23.4 1.0
O B:HOH502 4.1 22.9 1.0
CD1 B:PHE169 4.1 17.8 1.0
CD1 B:LEU16 4.1 23.2 1.0
C B:ASN14 4.1 28.9 1.0
CG B:PHE169 4.1 24.2 1.0
CA B:GLY64 4.3 11.7 1.0
CB B:ALA65 4.4 18.2 1.0
C B:GLY64 4.5 17.9 1.0
OD1 B:ASN14 4.5 25.9 1.0
CA B:ALA65 4.7 27.3 1.0
CG B:LEU16 4.8 27.8 1.0
N9 B:2FA401 4.8 18.7 1.0
N B:THR66 4.8 19.6 1.0
N6 B:2FA401 4.8 18.0 1.0
C B:GLY13 4.9 35.2 1.0
CA B:PHE169 5.0 22.7 1.0

Reference:

L.Romanello, J.F.Bachega, A.Cassago, J.Brandao-Neto, R.Demarco, R.C.Garratt, H.D.Pereira. Adenosine Kinase From Schistosoma Mansoni: Structural Basis For the Differential Incorporation of Nucleoside Analogues. Acta Crystallogr.,Sect.D V. 69 126 2013.
ISSN: ISSN 0907-4449
PubMed: 23275171
DOI: 10.1107/S0907444912044800
Page generated: Thu Aug 1 01:00:17 2024

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