Fluorine in PDB 4tyy: Dead-Box Helicase MSS116 Bound to Ssrna and Cdp-Bef

All present enzymatic activity of Dead-Box Helicase MSS116 Bound to Ssrna and Cdp-Bef:
3.6.4.13;

The structure of Dead-Box Helicase MSS116 Bound to Ssrna and Cdp-Bef, PDB code: 4tyy was solved by A.L.Mallam, D.J.Sidote, A.M.Lambowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.07 / 2.74
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.635, 126.842, 55.303, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 26.7

The structure of Dead-Box Helicase MSS116 Bound to Ssrna and Cdp-Bef also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Dead-Box Helicase MSS116 Bound to Ssrna and Cdp-Bef (pdb code 4tyy). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Dead-Box Helicase MSS116 Bound to Ssrna and Cdp-Bef, PDB code: 4tyy:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Dead-Box Helicase MSS116 Bound to Ssrna and Cdp-Bef


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Dead-Box Helicase MSS116 Bound to Ssrna and Cdp-Bef within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:85.1 occ:1.00 F1 A:BEF601 0.0 85.1 1.0 BE A:BEF601 1.5 84.9 1.0 MG A:MG603 1.9 45.9 1.0 HA2 A:GLY439 2.5 67.7 1.0 F3 A:BEF601 2.5 86.7 1.0 F2 A:BEF601 2.6 48.1 1.0 O1B A:CDP602 2.7 61.6 1.0 O A:HOH726 2.8 57.5 1.0 O A:HOH724 3.1 66.4 1.0 O3B A:CDP602 3.1 67.9 1.0 HH22 A:ARG469 3.2 77.0 1.0 OE2 A:GLU268 3.2 62.1 1.0 PB A:CDP602 3.4 61.3 1.0 H A:GLY439 3.4 60.2 1.0 CA A:GLY439 3.4 56.4 1.0 HE2 A:LYS158 3.5 76.9 1.0 O A:HOH728 3.7 0.5 1.0 HZ3 A:LYS158 3.7 77.0 1.0 HH22 A:ARG466 3.8 63.7 1.0 N A:GLY439 3.9 50.2 1.0 O A:HOH727 3.9 0.9 1.0 HH12 A:ARG466 3.9 58.3 1.0 HA3 A:GLY439 4.0 67.7 1.0 NH2 A:ARG469 4.0 64.2 1.0 O2B A:CDP602 4.0 60.5 1.0 O A:GLY439 4.1 58.6 1.0 O A:HOH725 4.2 56.1 1.0 CE A:LYS158 4.2 64.1 1.0 HH21 A:ARG469 4.2 77.0 1.0 C A:GLY439 4.3 54.5 1.0 HE3 A:LYS158 4.3 76.9 1.0 NZ A:LYS158 4.3 64.2 1.0 CD A:GLU268 4.4 59.7 1.0 HZ2 A:LYS158 4.5 77.0 1.0 H A:GLY155 4.5 0.0 1.0 HB2 A:LYS158 4.5 70.6 1.0 HH12 A:ARG469 4.6 80.0 1.0 O1A A:CDP602 4.6 55.7 1.0 HA A:THR154 4.6 95.8 1.0 NH2 A:ARG466 4.7 53.1 1.0 NH1 A:ARG466 4.8 48.6 1.0 HG23 A:THR154 4.8 98.1 1.0 O3A A:CDP602 4.8 69.0 1.0

Fluorine binding site 2 out of 3 in the Dead-Box Helicase MSS116 Bound to Ssrna and Cdp-Bef


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Dead-Box Helicase MSS116 Bound to Ssrna and Cdp-Bef within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:48.1 occ:1.00 F2 A:BEF601 0.0 48.1 1.0 BE A:BEF601 1.6 84.9 1.0 HH22 A:ARG469 1.9 77.0 1.0 HH12 A:ARG469 2.3 80.0 1.0 HH22 A:ARG466 2.4 63.7 1.0 O3B A:CDP602 2.4 67.9 1.0 F3 A:BEF601 2.5 86.7 1.0 F1 A:BEF601 2.6 85.1 1.0 H A:GLY155 2.6 0.0 1.0 NH2 A:ARG469 2.7 64.2 1.0 HA A:THR154 2.8 95.8 1.0 HB A:THR154 2.9 97.4 1.0 NH1 A:ARG469 3.0 66.7 1.0 HG23 A:THR154 3.1 98.1 1.0 NH2 A:ARG466 3.1 53.1 1.0 CZ A:ARG469 3.3 65.1 1.0 HH12 A:ARG466 3.3 58.3 1.0 N A:GLY155 3.4 85.8 1.0 HH21 A:ARG469 3.4 77.0 1.0 CB A:THR154 3.5 81.1 1.0 CA A:THR154 3.5 79.8 1.0 HZ3 A:LYS158 3.6 77.0 1.0 HH21 A:ARG466 3.6 63.7 1.0 PB A:CDP602 3.6 61.3 1.0 CG2 A:THR154 3.7 81.7 1.0 O A:HOH728 3.7 0.5 1.0 HH11 A:ARG469 3.7 80.0 1.0 NH1 A:ARG466 3.9 48.6 1.0 CZ A:ARG466 3.9 50.2 1.0 O1B A:CDP602 3.9 61.6 1.0 C A:THR154 3.9 81.3 1.0 H A:GLY439 4.0 60.2 1.0 O2B A:CDP602 4.0 60.5 1.0 HA2 A:GLY439 4.0 67.7 1.0 HG22 A:THR154 4.1 98.1 1.0 HA2 A:GLY155 4.2 0.9 1.0 MG A:MG603 4.3 45.9 1.0 NZ A:LYS158 4.4 64.2 1.0 HZ2 A:LYS158 4.4 77.0 1.0 CA A:GLY155 4.4 86.6 1.0 HG21 A:THR154 4.5 98.1 1.0 NE A:ARG469 4.6 66.9 1.0 N A:GLY439 4.6 50.2 1.0 HH11 A:ARG466 4.7 58.3 1.0 CA A:GLY439 4.7 56.4 1.0 HE2 A:LYS158 4.7 76.9 1.0 HB2 A:ALA306 4.8 73.1 1.0 N A:THR154 4.8 74.4 1.0 O A:HOH727 4.8 0.9 1.0 O A:GLY439 4.8 58.6 1.0 O A:GLY465 4.8 56.7 1.0 OG1 A:THR154 4.8 81.1 1.0 HA3 A:GLY155 4.9 0.9 1.0 O1A A:CDP602 4.9 55.7 1.0 O3A A:CDP602 4.9 69.0 1.0 H A:THR156 4.9 68.9 1.0 HZ1 A:LYS158 5.0 77.0 1.0 HA3 A:GLY465 5.0 65.1 1.0 HE A:ARG469 5.0 80.3 1.0

Fluorine binding site 3 out of 3 in the Dead-Box Helicase MSS116 Bound to Ssrna and Cdp-Bef


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Dead-Box Helicase MSS116 Bound to Ssrna and Cdp-Bef within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:86.7 occ:1.00 F3 A:BEF601 0.0 86.7 1.0 BE A:BEF601 1.5 84.9 1.0 O A:HOH728 2.3 0.5 1.0 O A:HOH727 2.4 0.9 1.0 F2 A:BEF601 2.5 48.1 1.0 F1 A:BEF601 2.5 85.1 1.0 HG23 A:THR154 2.7 98.1 1.0 HZ3 A:LYS158 2.9 77.0 1.0 HH22 A:ARG466 3.1 63.7 1.0 HB2 A:ALA306 3.2 73.1 1.0 OE2 A:GLU268 3.4 62.1 1.0 HA A:THR154 3.5 95.8 1.0 H A:GLY439 3.6 60.2 1.0 CG2 A:THR154 3.7 81.7 1.0 HB3 A:ALA306 3.7 73.1 1.0 NZ A:LYS158 3.7 64.2 1.0 HE3 A:LYS158 3.8 76.9 1.0 O A:HOH726 3.8 57.5 1.0 NH2 A:ARG466 3.8 53.1 1.0 ND1 A:HIS462 3.9 65.3 1.0 HE2 A:LYS158 3.9 76.9 1.0 CB A:ALA306 3.9 60.9 1.0 H A:ALA306 3.9 73.9 1.0 HE1 A:HIS462 4.0 77.0 1.0 CE A:LYS158 4.0 64.1 1.0 HH21 A:ARG466 4.1 63.7 1.0 HG21 A:THR154 4.1 98.1 1.0 HG22 A:THR154 4.1 98.1 1.0 HZ1 A:LYS158 4.1 77.0 1.0 OE1 A:GLU268 4.1 64.9 1.0 HA2 A:GLY439 4.2 67.7 1.0 CD A:GLU268 4.2 59.7 1.0 HZ2 A:LYS158 4.2 77.0 1.0 HB A:THR154 4.2 97.4 1.0 HH22 A:ARG469 4.3 77.0 1.0 MG A:MG603 4.3 45.9 1.0 O3B A:CDP602 4.3 67.9 1.0 CE1 A:HIS462 4.3 64.1 1.0 CA A:THR154 4.3 79.8 1.0 CB A:THR154 4.3 81.1 1.0 N A:GLY439 4.4 50.2 1.0 HH12 A:ARG469 4.4 80.0 1.0 N A:ALA306 4.5 61.6 1.0 HH12 A:ARG466 4.6 58.3 1.0 HB1 A:ALA306 4.6 73.1 1.0 H A:GLY155 4.6 0.0 1.0 O1B A:CDP602 4.6 61.6 1.0 O2B A:CDP602 4.7 60.5 1.0 HA A:ARG438 4.8 59.9 1.0 CA A:GLY439 4.8 56.4 1.0 PB A:CDP602 4.8 61.3 1.0 CA A:ALA306 4.8 61.8 1.0 HA A:SER305 4.8 76.2 1.0 CZ A:ARG466 4.9 50.2 1.0 HA A:HIS462 4.9 81.1 1.0 O A:HOH724 5.0 66.4 1.0

A.L.Mallam, D.J.Sidote, A.M.Lambowitz. Molecular Insights Into Rna and Dna Helicase Evolution From the Determinants of Specificity For A Dead-Box Rna Helicase. Elife V. 4 2014.
ISSN: ESSN 2050-084X
PubMed: 25497230
DOI: 10.7554/ELIFE.04630