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 / R_free (%)*	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

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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: Wed Jul 31 10:45:31 2024

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