Fluorine in PDB 6pdw: MSP1-Substrate Complex in Closed Conformation

The structure of MSP1-Substrate Complex in Closed Conformation also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Fluorine atom in the MSP1-Substrate Complex in Closed Conformation (pdb code 6pdw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the MSP1-Substrate Complex in Closed Conformation, PDB code: 6pdw:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in the MSP1-Substrate Complex in Closed Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of MSP1-Substrate Complex in Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:54.2 occ:1.00 F1 B:BEF502 0.0 54.2 1.0 BE B:BEF502 1.5 54.2 1.0 O2B B:ADP501 2.1 52.9 1.0 MG B:MG503 2.1 54.3 1.0 F3 B:BEF502 2.5 54.2 1.0 F2 B:BEF502 2.6 54.2 1.0 OG1 B:THR161 3.0 50.9 1.0 PB B:ADP501 3.2 52.9 1.0 O3B B:ADP501 3.3 52.9 1.0 OE2 B:GLU214 3.3 59.9 1.0 NH1 C:ARG275 3.7 49.8 1.0 NH1 C:ARG274 3.8 52.1 1.0 CB B:THR161 4.0 50.9 1.0 O1B B:ADP501 4.2 52.9 1.0 O2A B:ADP501 4.2 52.9 1.0 O3A B:ADP501 4.3 52.9 1.0 OD1 B:ASP213 4.5 57.0 1.0 CD B:GLU214 4.5 59.9 1.0 CZ C:ARG275 4.5 49.8 1.0 NZ B:LYS160 4.7 51.7 1.0 CE B:LYS160 4.8 51.7 1.0 N B:THR161 4.8 50.9 1.0 NH2 C:ARG275 4.8 49.8 1.0 PA B:ADP501 4.9 52.9 1.0 CG B:LYS160 4.9 51.7 1.0 CG B:GLU214 5.0 59.9 1.0 CG2 B:THR161 5.0 50.9 1.0 CZ C:ARG274 5.0 52.1 1.0

Fluorine binding site 2 out of 9 in the MSP1-Substrate Complex in Closed Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of MSP1-Substrate Complex in Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:54.2 occ:1.00 F2 B:BEF502 0.0 54.2 1.0 BE B:BEF502 1.6 54.2 1.0 O3B B:ADP501 2.2 52.9 1.0 NZ B:LYS160 2.5 51.7 1.0 F3 B:BEF502 2.5 54.2 1.0 F1 B:BEF502 2.6 54.2 1.0 PB B:ADP501 3.1 52.9 1.0 CE B:LYS160 3.1 51.7 1.0 O2B B:ADP501 3.2 52.9 1.0 CA B:PRO156 3.6 52.1 1.0 N B:GLY157 3.7 53.1 1.0 OE2 B:GLU214 3.9 59.9 1.0 O1B B:ADP501 3.9 52.9 1.0 O B:PRO155 3.9 52.8 1.0 CB B:ASN263 4.0 60.9 1.0 CG B:LYS160 4.1 51.7 1.0 C B:PRO156 4.2 52.1 1.0 ND2 B:ASN263 4.2 60.9 1.0 CD B:LYS160 4.2 51.7 1.0 CB B:PRO156 4.2 52.1 1.0 CG B:ASN263 4.5 60.9 1.0 O3A B:ADP501 4.5 52.9 1.0 N B:PRO156 4.5 52.1 1.0 NH1 C:ARG274 4.6 52.1 1.0 C B:PRO155 4.6 52.8 1.0 MG B:MG503 4.6 54.3 1.0 CA B:GLY157 4.8 53.1 1.0 CA B:ASN263 4.9 60.9 1.0 OG1 B:THR161 5.0 50.9 1.0 N B:ASN263 5.0 60.9 1.0

Fluorine binding site 3 out of 9 in the MSP1-Substrate Complex in Closed Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of MSP1-Substrate Complex in Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:54.2 occ:1.00 F3 B:BEF502 0.0 54.2 1.0 BE B:BEF502 1.5 54.2 1.0 F2 B:BEF502 2.5 54.2 1.0 F1 B:BEF502 2.5 54.2 1.0 NH2 C:ARG275 2.7 49.8 1.0 NH1 C:ARG275 2.9 49.8 1.0 CZ C:ARG275 3.1 49.8 1.0 NH1 C:ARG274 3.1 52.1 1.0 OE2 B:GLU214 3.4 59.9 1.0 O3B B:ADP501 3.6 52.9 1.0 ND2 B:ASN263 3.7 60.9 1.0 O2B B:ADP501 3.9 52.9 1.0 CZ C:ARG274 4.1 52.1 1.0 CB B:PRO156 4.1 52.1 1.0 NE C:ARG274 4.2 52.1 1.0 MG B:MG503 4.2 54.3 1.0 CA B:PRO156 4.3 52.1 1.0 NE C:ARG275 4.3 49.8 1.0 N B:GLY157 4.3 53.1 1.0 PB B:ADP501 4.3 52.9 1.0 CD B:GLU214 4.5 59.9 1.0 CG B:ASN263 4.6 60.9 1.0 C B:PRO156 4.8 52.1 1.0 O C:ALA271 4.8 54.9 1.0 NZ B:LYS160 4.9 51.7 1.0 CB B:ASN263 4.9 60.9 1.0 CB C:ALA271 4.9 54.9 1.0

Fluorine binding site 4 out of 9 in the MSP1-Substrate Complex in Closed Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of MSP1-Substrate Complex in Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ C:F503 b:40.8 occ:1.00 F1 C:BEF503 0.0 40.8 1.0 BE C:BEF503 1.5 40.8 1.0 MG C:MG502 2.0 46.7 1.0 O2B C:ADP501 2.1 40.0 1.0 F3 C:BEF503 2.5 40.8 1.0 F2 C:BEF503 2.6 40.8 1.0 NH1 D:ARG275 3.0 38.5 1.0 PB C:ADP501 3.2 40.0 1.0 O3B C:ADP501 3.4 40.0 1.0 OG1 C:THR161 3.5 36.9 1.0 NH2 D:ARG274 4.0 40.1 1.0 OE2 C:GLU214 4.0 47.2 1.0 O3A C:ADP501 4.1 40.0 1.0 O2A C:ADP501 4.2 40.0 1.0 CZ D:ARG275 4.2 38.5 1.0 O1B C:ADP501 4.4 40.0 1.0 CB C:THR161 4.6 36.9 1.0 CE C:LYS160 4.6 38.2 1.0 CZ D:ARG274 4.7 40.1 1.0 OD1 C:ASP213 4.8 41.5 1.0 OD2 C:ASP213 4.8 41.5 1.0 NH2 D:ARG275 4.9 38.5 1.0 PA C:ADP501 4.9 40.0 1.0 NE D:ARG274 4.9 40.1 1.0 NZ C:LYS160 5.0 38.2 1.0 N C:THR161 5.0 36.9 1.0

Fluorine binding site 5 out of 9 in the MSP1-Substrate Complex in Closed Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of MSP1-Substrate Complex in Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ C:F503 b:40.8 occ:1.00 F2 C:BEF503 0.0 40.8 1.0 BE C:BEF503 1.6 40.8 1.0 F3 C:BEF503 2.5 40.8 1.0 NH1 D:ARG275 2.5 38.5 1.0 F1 C:BEF503 2.6 40.8 1.0 NH2 D:ARG275 3.0 38.5 1.0 CZ D:ARG275 3.0 38.5 1.0 NE D:ARG274 3.1 40.1 1.0 NH2 D:ARG274 3.2 40.1 1.0 CZ D:ARG274 3.5 40.1 1.0 O3B C:ADP501 3.6 40.0 1.0 CB C:PRO156 3.6 39.4 1.0 O2B C:ADP501 3.9 40.0 1.0 CA C:PRO156 4.1 39.4 1.0 CE D:MET238 4.2 41.9 1.0 NE D:ARG275 4.2 38.5 1.0 CD D:ARG274 4.2 40.1 1.0 OE2 C:GLU214 4.3 47.2 1.0 PB C:ADP501 4.3 40.0 1.0 N C:GLY157 4.4 41.0 1.0 O D:ALA271 4.4 43.3 1.0 CB D:ALA271 4.5 43.3 1.0 MG C:MG502 4.6 46.7 1.0 C C:PRO156 4.7 39.4 1.0 ND2 C:ASN263 4.7 48.9 1.0 NH1 D:ARG274 4.7 40.1 1.0 O3A C:ADP501 4.8 40.0 1.0 CA D:ALA271 4.9 43.3 1.0

Fluorine binding site 6 out of 9 in the MSP1-Substrate Complex in Closed Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of MSP1-Substrate Complex in Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ C:F503 b:40.8 occ:1.00 F3 C:BEF503 0.0 40.8 1.0 BE C:BEF503 1.5 40.8 1.0 O3B C:ADP501 2.3 40.0 1.0 F2 C:BEF503 2.5 40.8 1.0 F1 C:BEF503 2.5 40.8 1.0 NZ C:LYS160 2.9 38.2 1.0 CE C:LYS160 3.1 38.2 1.0 O2B C:ADP501 3.2 40.0 1.0 PB C:ADP501 3.2 40.0 1.0 CA C:PRO156 3.4 39.4 1.0 CB C:PRO156 3.8 39.4 1.0 MG C:MG502 3.8 46.7 1.0 N C:GLY157 4.0 41.0 1.0 O1B C:ADP501 4.2 40.0 1.0 C C:PRO156 4.3 39.4 1.0 ND2 C:ASN263 4.3 48.9 1.0 OE2 C:GLU214 4.3 47.2 1.0 N C:PRO156 4.4 39.4 1.0 O3A C:ADP501 4.4 40.0 1.0 O C:PRO155 4.5 41.4 1.0 NH1 D:ARG275 4.5 38.5 1.0 CD C:LYS160 4.5 38.2 1.0 CB C:ASN263 4.5 48.9 1.0 CG C:ASN263 4.7 48.9 1.0 C C:PRO155 4.8 41.4 1.0 NE D:ARG274 4.8 40.1 1.0 CB C:LYS160 5.0 38.2 1.0 CG C:LYS160 5.0 38.2 1.0

Fluorine binding site 7 out of 9 in the MSP1-Substrate Complex in Closed Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of MSP1-Substrate Complex in Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ D:F502 b:43.4 occ:1.00 F1 D:BEF502 0.0 43.4 1.0 BE D:BEF502 1.5 43.4 1.0 NH1 E:ARG275 2.3 47.1 1.0 F3 D:BEF502 2.5 43.4 1.0 F2 D:BEF502 2.6 43.4 1.0 NH1 E:ARG274 2.7 47.3 1.0 NE E:ARG274 3.4 47.3 1.0 CZ E:ARG274 3.5 47.3 1.0 O2B D:ADP501 3.6 41.3 1.0 O3B D:ADP501 3.6 41.3 1.0 CZ E:ARG275 3.7 47.1 1.0 MG D:MG503 3.9 39.0 1.0 CB D:PRO156 4.1 45.0 1.0 PB D:ADP501 4.2 41.3 1.0 N D:GLY157 4.2 44.1 1.0 OE2 D:GLU214 4.2 51.0 1.0 NE E:ARG275 4.4 47.1 1.0 CA D:PRO156 4.4 45.0 1.0 NH2 E:ARG275 4.5 47.1 1.0 C D:PRO156 4.7 45.0 1.0 O3A D:ADP501 4.7 41.3 1.0 O E:ALA271 4.8 51.0 1.0 CD E:ARG274 4.8 47.3 1.0 NH2 E:ARG274 4.8 47.3 1.0 CB E:ALA271 4.8 51.0 1.0 CA D:GLY157 5.0 44.1 1.0

Fluorine binding site 8 out of 9 in the MSP1-Substrate Complex in Closed Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of MSP1-Substrate Complex in Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ D:F502 b:43.4 occ:1.00 F2 D:BEF502 0.0 43.4 1.0 BE D:BEF502 1.6 43.4 1.0 O3B D:ADP501 2.2 41.3 1.0 F3 D:BEF502 2.5 43.4 1.0 F1 D:BEF502 2.6 43.4 1.0 NZ D:LYS160 2.8 39.9 1.0 CE D:LYS160 3.1 39.9 1.0 PB D:ADP501 3.2 41.3 1.0 O2B D:ADP501 3.2 41.3 1.0 CA D:PRO156 3.3 45.0 1.0 N D:GLY157 3.5 44.1 1.0 CB D:PRO156 3.8 45.0 1.0 C D:PRO156 3.9 45.0 1.0 O1B D:ADP501 4.2 41.3 1.0 O D:PRO155 4.2 42.8 1.0 OE2 D:GLU214 4.2 51.0 1.0 N D:PRO156 4.3 45.0 1.0 ND2 D:ASN263 4.4 48.1 1.0 O3A D:ADP501 4.4 41.3 1.0 NH1 E:ARG274 4.4 47.3 1.0 CB D:ASN263 4.5 48.1 1.0 MG D:MG503 4.6 39.0 1.0 CD D:LYS160 4.6 39.9 1.0 CA D:GLY157 4.6 44.1 1.0 C D:PRO155 4.6 42.8 1.0 CG D:ASN263 4.8 48.1 1.0 NH1 E:ARG275 4.9 47.1 1.0 CB D:LYS160 5.0 39.9 1.0

Fluorine binding site 9 out of 9 in the MSP1-Substrate Complex in Closed Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of MSP1-Substrate Complex in Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ D:F502 b:43.4 occ:1.00 F3 D:BEF502 0.0 43.4 1.0 BE D:BEF502 1.5 43.4 1.0 MG D:MG503 2.1 39.0 1.0 O2B D:ADP501 2.1 41.3 1.0 F2 D:BEF502 2.5 43.4 1.0 F1 D:BEF502 2.5 43.4 1.0 PB D:ADP501 3.2 41.3 1.0 OG1 D:THR161 3.2 39.8 1.0 O3B D:ADP501 3.4 41.3 1.0 OE2 D:GLU214 3.9 51.0 1.0 NH1 E:ARG274 3.9 47.3 1.0 NH1 E:ARG275 4.1 47.1 1.0 O1B D:ADP501 4.2 41.3 1.0 OD1 D:ASP213 4.3 47.0 1.0 O3A D:ADP501 4.3 41.3 1.0 CB D:THR161 4.4 39.8 1.0 CE D:LYS160 4.4 39.9 1.0 OD2 D:ASP213 4.4 47.0 1.0 O2A D:ADP501 4.4 41.3 1.0 N D:THR161 4.7 39.8 1.0 NZ D:LYS160 4.7 39.9 1.0 CG D:ASP213 4.8 47.0 1.0 O E:ASP242 4.9 49.6 1.0 CD D:GLU214 5.0 51.0 1.0 PA D:ADP501 5.0 41.3 1.0

L.Wang, A.Myasnikov, X.Pan, P.Walter. Structure of the Aaa Protein MSP1 Reveals Mechanism of Mislocalized Membrane Protein Extraction. Elife V. 9 2020.
ISSN: ESSN 2050-084X
PubMed: 31999255
DOI: 10.7554/ELIFE.54031