Fluorine in PDB 3tfs: Ternary Complex Structure of Dna Polymerase Beta with A Gapped Dna Substrate and A, B Damp(Cfh)Pp in the Active Site: Stereoselective Binding of (S) Isomer

Enzymatic activity of Ternary Complex Structure of Dna Polymerase Beta with A Gapped Dna Substrate and A, B Damp(Cfh)Pp in the Active Site: Stereoselective Binding of (S) Isomer

All present enzymatic activity of Ternary Complex Structure of Dna Polymerase Beta with A Gapped Dna Substrate and A, B Damp(Cfh)Pp in the Active Site: Stereoselective Binding of (S) Isomer:
2.7.7.7;

Protein crystallography data

The structure of Ternary Complex Structure of Dna Polymerase Beta with A Gapped Dna Substrate and A, B Damp(Cfh)Pp in the Active Site: Stereoselective Binding of (S) Isomer, PDB code: 3tfs was solved by B.T.Chamberlain, V.K.Batra, W.A.Beard, A.P.Kadina, D.D.Shock, B.A.Kashemirov, C.E.Mckenna, M.F.Goodman, S.H.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	25.56 / 2.00
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	50.770, 79.580, 55.720, 90.00, 107.75, 90.00
*R / R_free (%)*	18.8 / 24.2

Other elements in 3tfs:

The structure of Ternary Complex Structure of Dna Polymerase Beta with A Gapped Dna Substrate and A, B Damp(Cfh)Pp in the Active Site: Stereoselective Binding of (S) Isomer also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	4 atoms
Sodium	(Na)	2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Ternary Complex Structure of Dna Polymerase Beta with A Gapped Dna Substrate and A, B Damp(Cfh)Pp in the Active Site: Stereoselective Binding of (S) Isomer (pdb code 3tfs). 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 Ternary Complex Structure of Dna Polymerase Beta with A Gapped Dna Substrate and A, B Damp(Cfh)Pp in the Active Site: Stereoselective Binding of (S) Isomer, PDB code: 3tfs:

Fluorine binding site 1 out of 1 in 3tfs

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Fluorine Binding Sites List in 3tfs

Fluorine binding site 1 out of 1 in the Ternary Complex Structure of Dna Polymerase Beta with A Gapped Dna Substrate and A, B Damp(Cfh)Pp in the Active Site: Stereoselective Binding of (S) Isomer

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Ternary Complex Structure of Dna Polymerase Beta with A Gapped Dna Substrate and A, B Damp(Cfh)Pp in the Active Site: Stereoselective Binding of (S) Isomer within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F338 b:17.5 occ:1.00	F1A	A:FHA338	0.0	17.5	1.0
	C3A	A:FHA338	1.4	16.4	1.0
	PA	A:FHA338	2.7	16.0	1.0
	PB	A:FHA338	2.7	12.4	1.0
	O	A:HOH347	2.7	15.9	1.0
	O1B	A:FHA338	2.8	14.1	1.0
	O2A	A:FHA338	3.2	15.1	1.0
	O5'	A:FHA338	3.2	15.3	1.0
	O3B	A:FHA338	3.5	13.3	1.0
	C3'	A:FHA338	3.7	13.7	1.0
	O	A:HOH572	3.8	27.2	1.0
	O2B	A:FHA338	3.8	13.8	1.0
	O1A	A:FHA338	4.0	10.8	1.0
	O3'	A:FHA338	4.0	13.2	1.0
	C5'	A:FHA338	4.1	13.7	1.0
	C8	A:FHA338	4.2	13.8	1.0
	CG	A:ASP276	4.4	22.9	1.0
	O3G	A:FHA338	4.4	13.5	1.0
	CB	A:ASP276	4.4	16.4	1.0
	O	A:HOH429	4.5	26.6	1.0
	PG	A:FHA338	4.5	14.9	1.0
	C4'	A:FHA338	4.5	12.7	1.0
	OD2	A:ASP276	4.5	21.7	1.0
	N	A:ASP276	4.6	17.2	1.0
	N7	A:FHA338	4.7	19.0	1.0
	OD1	A:ASP276	4.7	23.1	1.0
	O	A:HOH428	4.8	32.8	1.0
	O1G	A:FHA338	4.8	19.6	1.0
	C2'	A:FHA338	4.9	14.0	1.0
	MG	A:MG339	5.0	14.9	1.0

Reference:

B.T.Chamberlain, V.K.Batra, W.A.Beard, A.P.Kadina, D.D.Shock, B.A.Kashemirov, C.E.Mckenna, M.F.Goodman, S.H.Wilson. Stereospecific Formation of A Ternary Complex of (S)-Alpha, Beta-Fluoromethylene-Datp with Dna Pol Beta. Chembiochem V. 13 528 2012.
ISSN: ISSN 1439-4227
PubMed: 22315190
DOI: 10.1002/CBIC.201100738

Page generated: Wed Jul 31 22:43:31 2024

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