Fluorine in PDB 5rvz: Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z1929757385

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z1929757385

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z1929757385:
1.2.4.2;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z1929757385, PDB code: 5rvz was solved by G.A.Bezerra, W.R.Foster, H.J.Bailey, L.Shrestha, T.Krojer, J.Brandao-Neto, A.Douangamath, N.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, W.W.Yue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	85.12 / 1.98
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	78.149, 146.911, 87.327, 90.00, 102.90, 90.00
*R / R_free (%)*	16.6 / 22.5

Other elements in 5rvz:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z1929757385 also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z1929757385 (pdb code 5rvz). 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 Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z1929757385, PDB code: 5rvz:

Fluorine binding site 1 out of 1 in 5rvz

Go back to

Fluorine Binding Sites List in 5rvz

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z1929757385

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of DHTKD1 in Complex with Z1929757385 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F1001 b:33.5 occ:0.52	F12	A:WGA1001	0.0	33.5	0.5
	C11	A:WGA1001	1.4	33.7	0.5
	C06	A:WGA1001	2.4	34.3	0.5
	C10	A:WGA1001	2.5	34.4	0.5
	N05	A:WGA1001	2.7	34.2	0.5
	C13	A:WGA1001	2.8	33.1	0.5
	O	A:HOH1841	3.1	34.2	1.0
	O	A:HOH1904	3.3	30.0	0.5
	O	A:HOH1923	3.3	29.8	1.0
	O15	A:WGA1001	3.4	27.7	0.5
	N07	A:WGA1001	3.6	35.6	0.5
	C09	A:WGA1001	3.7	34.5	0.5
	C14	A:WGA1001	3.8	31.9	0.5
	C08	A:WGA1001	4.2	34.7	0.5
	CE1	A:PHE630	4.2	29.4	1.0
	C04	A:WGA1001	4.3	34.2	0.5
	CZ	A:PHE630	4.3	28.3	1.0
	CD1	A:PHE630	4.4	27.6	1.0
	CE2	A:PHE630	4.6	29.4	1.0
	O	A:HOH2057	4.6	30.0	0.5
	CG	A:PHE630	4.7	25.8	1.0
	CD2	A:PHE630	4.7	26.9	1.0
	C02	A:WGA1001	4.8	33.0	0.5

Reference:

G.A.Bezerra, W.R.Foster, H.J.Bailey, L.Shrestha, T.Krojer, J.Brandao-Neto, A.Douangamath, N.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, W.W.Yue. Pandda Analysis Group Deposition To Be Published.

Page generated: Thu Aug 1 13:58:58 2024

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