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Fluorine in PDB 1a3t: Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate

Enzymatic activity of Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate

All present enzymatic activity of Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate:
3.1.31.1;

Protein crystallography data

The structure of Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate, PDB code: 1a3t was solved by R.Wynn, P.C.Harkins, F.M.Richards, R.O.Fox, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 2.10
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 48.400, 48.400, 63.300, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / n/a

Other elements in 1a3t:

The structure of Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate (pdb code 1a3t). 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 Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate, PDB code: 1a3t:

Fluorine binding site 1 out of 1 in 1a3t

Go back to Fluorine Binding Sites List in 1a3t
Fluorine binding site 1 out of 1 in the Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Staphylococcal Nuclease, V23C Variant, Complex with 2-Fluoroethane Thiol and 3',5'-Thymidine Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F23

b:49.7
occ:1.00
F2 A:EFC23 0.0 49.7 1.0
C2 A:EFC23 1.3 51.4 1.0
C1 A:EFC23 2.2 45.3 1.0
SG A:EFC23 2.5 36.4 1.0
SD A:EFC23 2.9 55.1 1.0
CB A:EFC23 3.6 20.0 1.0
H A:EFC23 3.6 0.0 1.0
N A:EFC23 3.6 20.1 1.0
O A:ASP21 3.7 27.8 1.0
C A:THR22 3.8 22.6 1.0
CD2 A:LEU36 3.9 18.8 1.0
C A:ASP21 3.9 25.1 1.0
CG A:LEU36 3.9 21.9 1.0
CA A:THR22 3.9 17.7 1.0
N A:THR22 4.0 22.8 1.0
O A:PHE34 4.1 23.3 1.0
CA A:EFC23 4.2 21.4 1.0
H A:LEU36 4.2 0.0 1.0
O A:THR22 4.4 23.4 1.0
H A:THR22 4.4 0.0 1.0
CG1 A:ILE92 4.4 26.3 1.0
C A:PHE34 4.5 17.0 1.0
CD1 A:LEU36 4.5 19.9 1.0
CB A:PHE34 4.7 21.8 1.0
N A:LEU36 4.7 21.8 1.0
CA A:ASP21 4.7 22.9 1.0

Reference:

R.Wynn, P.C.Harkins, F.M.Richards, R.O.Fox. Comparison of Straight Chain and Cyclic Unnatural Amino Acids Embedded in the Core of Staphylococcal Nuclease. Protein Sci. V. 6 1621 1997.
ISSN: ISSN 0961-8368
PubMed: 9260275
Page generated: Sun Dec 13 11:28:04 2020

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