Fluorine in PDB 3i62: Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride

The structure of Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride, PDB code: 3i62 was solved by M.Del Campo, A.M.Lambowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.57 / 1.95
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.826, 126.111, 55.770, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 20.9

The structure of Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Aluminium	(Al)	1 atom

The binding sites of Fluorine atom in the Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride (pdb code 3i62). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride, PDB code: 3i62:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:13.0 occ:1.00 F1 A:ALF900 0.0 13.0 1.0 AL A:ALF900 1.8 13.3 1.0 F3 A:ALF900 2.5 13.8 1.0 F4 A:ALF900 2.5 12.5 1.0 O1B A:ADP1000 2.7 10.3 1.0 NH2 A:ARG469 2.8 10.8 1.0 NH1 A:ARG466 2.8 12.0 1.0 O A:HOH1005 2.8 10.1 1.0 CA A:GLY439 3.1 12.1 1.0 NH1 A:ARG469 3.3 11.4 1.0 O A:GLY439 3.3 12.3 1.0 N A:GLY439 3.3 12.2 1.0 C A:GLY439 3.3 12.2 1.0 O A:HOH1001 3.3 9.3 1.0 CZ A:ARG469 3.4 10.9 1.0 NH2 A:ARG466 3.5 12.0 1.0 F2 A:ALF900 3.6 14.2 1.0 CZ A:ARG466 3.6 11.9 1.0 MG A:MG800 3.8 16.9 1.0 PB A:ADP1000 3.9 12.6 1.0 O2B A:ADP1000 4.1 11.1 1.0 N A:MET440 4.2 12.2 1.0 O A:HOH1004 4.4 13.0 1.0 O3A A:ADP1000 4.4 12.1 1.0 OE2 A:GLU268 4.4 12.7 1.0 O2A A:ADP1000 4.4 13.0 1.0 C A:ARG438 4.6 12.5 1.0 O A:MET440 4.6 12.6 1.0 NE A:ARG469 4.7 11.8 1.0 N A:GLY155 4.7 12.4 1.0 NE A:ARG466 4.9 11.0 1.0 C A:MET440 4.9 12.5 1.0

Fluorine binding site 2 out of 4 in the Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:14.2 occ:1.00 F2 A:ALF900 0.0 14.2 1.0 AL A:ALF900 1.8 13.3 1.0 F4 A:ALF900 2.5 12.5 1.0 F3 A:ALF900 2.5 13.8 1.0 O A:HOH1005 2.7 10.1 1.0 O1B A:ADP1000 2.7 10.3 1.0 NZ A:LYS158 2.7 12.9 1.0 O A:HOH1051 2.8 11.4 1.0 CE A:LYS158 3.2 12.8 1.0 F1 A:ALF900 3.6 13.0 1.0 PB A:ADP1000 3.6 12.6 1.0 CA A:THR154 3.7 12.4 1.0 CB A:ALA306 3.9 15.6 1.0 O3B A:ADP1000 3.9 11.9 1.0 CG2 A:THR154 4.0 11.9 1.0 O A:HOH1002 4.0 13.4 1.0 O2B A:ADP1000 4.1 11.1 1.0 MG A:MG800 4.1 16.9 1.0 CE1 A:HIS462 4.2 11.9 1.0 ND1 A:HIS462 4.2 11.6 1.0 N A:GLY155 4.3 12.4 1.0 OE2 A:GLU268 4.3 12.7 1.0 CB A:THR154 4.3 12.1 1.0 N A:THR154 4.3 12.6 1.0 N A:ALA306 4.4 15.3 1.0 O A:LYS153 4.5 12.7 1.0 C A:THR154 4.5 12.4 1.0 C A:LYS153 4.7 12.9 1.0 CD A:LYS158 4.7 13.1 1.0 CA A:ALA306 4.7 15.8 1.0 NH2 A:ARG466 4.8 12.0 1.0 O A:ALA152 4.8 13.3 1.0 OE1 A:GLU268 4.9 11.5 1.0

Fluorine binding site 3 out of 4 in the Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:13.8 occ:1.00 F3 A:ALF900 0.0 13.8 1.0 AL A:ALF900 1.8 13.3 1.0 MG A:MG800 1.9 16.9 1.0 F1 A:ALF900 2.5 13.0 1.0 F2 A:ALF900 2.5 14.2 1.0 O1B A:ADP1000 2.6 10.3 1.0 O A:HOH1002 2.7 13.4 1.0 O A:HOH1005 2.7 10.1 1.0 O2B A:ADP1000 2.8 11.1 1.0 O A:HOH1004 2.8 13.0 1.0 O A:HOH1001 3.0 9.3 1.0 OE2 A:GLU268 3.1 12.7 1.0 PB A:ADP1000 3.2 12.6 1.0 O A:HOH1051 3.4 11.4 1.0 F4 A:ALF900 3.6 12.5 1.0 CA A:GLY439 3.7 12.1 1.0 O A:HOH1003 3.9 14.0 1.0 N A:GLY439 4.1 12.2 1.0 CE A:LYS158 4.1 12.8 1.0 CD A:GLU268 4.2 12.8 1.0 O3B A:ADP1000 4.2 11.9 1.0 NZ A:LYS158 4.3 12.9 1.0 O3A A:ADP1000 4.4 12.1 1.0 O A:GLY439 4.6 12.3 1.0 C A:GLY439 4.6 12.2 1.0 NH2 A:ARG469 4.7 10.8 1.0 OE1 A:GLU268 4.7 11.5 1.0 OD1 A:ASP267 4.9 15.3 1.0 O2A A:ADP1000 5.0 13.0 1.0

Fluorine binding site 4 out of 4 in the Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of MSS116P Bound to Ssrna and Adp-Aluminum Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F900 b:12.5 occ:1.00 F4 A:ALF900 0.0 12.5 1.0 AL A:ALF900 1.8 13.3 1.0 F1 A:ALF900 2.5 13.0 1.0 F2 A:ALF900 2.5 14.2 1.0 O1B A:ADP1000 2.7 10.3 1.0 NH2 A:ARG466 2.8 12.0 1.0 O A:HOH1005 2.8 10.1 1.0 NH1 A:ARG469 2.9 11.4 1.0 CB A:THR154 3.0 12.1 1.0 CA A:THR154 3.1 12.4 1.0 CG2 A:THR154 3.2 11.9 1.0 N A:GLY155 3.2 12.4 1.0 F3 A:ALF900 3.6 13.8 1.0 CZ A:ARG466 3.6 11.9 1.0 C A:THR154 3.6 12.4 1.0 NH1 A:ARG466 3.7 12.0 1.0 CZ A:ARG469 3.9 10.9 1.0 NH2 A:ARG469 3.9 10.8 1.0 PB A:ADP1000 4.2 12.6 1.0 O A:GLY465 4.3 11.9 1.0 CA A:GLY155 4.4 12.7 1.0 OG1 A:THR154 4.4 11.4 1.0 N A:THR154 4.4 12.6 1.0 ND1 A:HIS462 4.5 11.6 1.0 NZ A:LYS158 4.7 12.9 1.0 O A:THR154 4.8 12.2 1.0 NE A:ARG466 4.8 11.0 1.0 N A:GLY439 4.8 12.2 1.0 O3B A:ADP1000 4.9 11.9 1.0 C A:GLY465 4.9 12.4 1.0 O3A A:ADP1000 5.0 12.1 1.0 O A:HOH1051 5.0 11.4 1.0

M.Del Campo, A.M.Lambowitz. Structure of the Yeast Dead Box Protein MSS116P Reveals Two Wedges That Crimp Rna Mol.Cell V. 35 598 2009.
ISSN: ISSN 1097-2765
PubMed: 19748356
DOI: 10.1016/J.MOLCEL.2009.07.032