Fluorine in PDB 7oh6: Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State

All present enzymatic activity of Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State:
7.6.2.1;

The structure of Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State (pdb code 7oh6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State, PDB code: 7oh6:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:90.0 occ:1.00 F1 A:ALF1502 0.0 90.0 1.0 AL A:ALF1502 1.8 90.0 1.0 OG1 A:THR562 2.5 88.5 1.0 F4 A:ALF1502 2.5 90.0 1.0 OD1 A:ASP560 2.5 85.8 1.0 F3 A:ALF1502 2.5 90.0 1.0 OE2 A:GLU342 3.0 103.3 1.0 N A:THR562 3.1 88.5 1.0 OD1 A:ASP837 3.1 94.0 1.0 OG1 A:THR835 3.2 87.9 1.0 F2 A:ALF1502 3.6 90.0 1.0 CG A:ASP560 3.6 85.8 1.0 CB A:THR562 3.6 88.5 1.0 N A:LYS561 3.7 86.4 1.0 CB A:LYS561 3.8 86.4 1.0 CD A:GLU342 3.9 103.3 1.0 CA A:THR562 3.9 88.5 1.0 OE1 A:GLU342 3.9 103.3 1.0 C A:LYS561 3.9 86.4 1.0 CA A:LYS561 4.0 86.4 1.0 OD2 A:ASP560 4.0 85.8 1.0 MG A:MG1503 4.1 88.6 1.0 O A:THR562 4.1 88.5 1.0 CG2 A:THR562 4.2 88.5 1.0 CB A:THR835 4.2 87.9 1.0 CG A:ASP837 4.3 94.0 1.0 N A:GLY836 4.4 88.1 1.0 C A:THR562 4.5 88.5 1.0 NZ A:LYS561 4.7 86.4 1.0 CA A:THR835 4.7 87.9 1.0 C A:ASP560 4.7 85.8 1.0 OD2 A:ASP837 4.7 94.0 1.0 CE A:LYS561 4.7 86.4 1.0 CA A:GLY341 4.8 102.9 1.0 CG A:LYS561 4.8 86.4 1.0 CB A:ASP560 4.9 85.8 1.0 O A:HOH1601 4.9 90.5 1.0 C A:GLY341 5.0 102.9 1.0 O A:GLY341 5.0 102.9 1.0

Fluorine binding site 2 out of 4 in the Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:90.0 occ:1.00 F2 A:ALF1502 0.0 90.0 1.0 AL A:ALF1502 1.8 90.0 1.0 O A:HOH1601 2.4 90.5 1.0 OD1 A:ASP560 2.4 85.8 1.0 F4 A:ALF1502 2.5 90.0 1.0 F3 A:ALF1502 2.6 90.0 1.0 ND2 A:ASN957 2.7 93.4 1.0 CG A:ASP560 2.8 85.8 1.0 NZ A:LYS934 3.0 87.1 1.0 OD2 A:ASP560 3.2 85.8 1.0 MG A:MG1503 3.3 88.6 1.0 OD1 A:ASN957 3.4 93.4 1.0 CG A:ASN957 3.5 93.4 1.0 F1 A:ALF1502 3.6 90.0 1.0 CB A:ASP560 3.8 85.8 1.0 CA A:GLY341 3.8 102.9 1.0 O A:HOH1602 4.4 88.7 1.0 CE A:LYS934 4.5 87.1 1.0 O A:ASP954 4.5 87.4 1.0 N A:GLY341 4.7 102.9 1.0 O A:ASP340 4.8 102.3 1.0 OD2 A:ASP958 4.8 92.4 1.0 OD1 A:ASP954 4.8 87.4 1.0 C A:GLY341 4.9 102.9 1.0 O A:THR562 4.9 88.5 1.0 CB A:ASN957 4.9 93.4 1.0 O A:GLY341 4.9 102.9 1.0 OG1 A:THR562 5.0 88.5 1.0

Fluorine binding site 3 out of 4 in the Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:90.0 occ:1.00 F3 A:ALF1502 0.0 90.0 1.0 AL A:ALF1502 1.8 90.0 1.0 OD1 A:ASP560 2.5 85.8 1.0 F1 A:ALF1502 2.5 90.0 1.0 F2 A:ALF1502 2.6 90.0 1.0 N A:GLY836 2.7 88.1 1.0 OG1 A:THR835 3.2 87.9 1.0 NZ A:LYS934 3.3 87.1 1.0 CA A:THR835 3.3 87.9 1.0 C A:THR835 3.5 87.9 1.0 F4 A:ALF1502 3.6 90.0 1.0 CG A:ASP560 3.6 85.8 1.0 CA A:GLY836 3.7 88.1 1.0 CB A:THR835 3.8 87.9 1.0 ND2 A:ASN957 4.0 93.4 1.0 OD1 A:ASP837 4.1 94.0 1.0 CE A:LYS934 4.1 87.1 1.0 CB A:ASP560 4.4 85.8 1.0 CA A:GLY341 4.5 102.9 1.0 O A:LEU834 4.5 82.9 1.0 OE1 A:GLU342 4.5 103.3 1.0 OD2 A:ASP560 4.5 85.8 1.0 N A:THR835 4.6 87.9 1.0 N A:LYS561 4.6 86.4 1.0 C A:GLY836 4.6 88.1 1.0 N A:ASP837 4.6 94.0 1.0 O A:THR835 4.7 87.9 1.0 O A:HOH1601 4.8 90.5 1.0 N A:GLY341 4.8 102.9 1.0 OE2 A:GLU342 4.8 103.3 1.0 OG1 A:THR562 4.8 88.5 1.0 MG A:MG1503 5.0 88.6 1.0 C A:LEU834 5.0 82.9 1.0 CA A:ASP560 5.0 85.8 1.0

Fluorine binding site 4 out of 4 in the Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Cryo-Em Structure of DRS2P-CDC50P in the [Ps]E2-Alfx State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:90.0 occ:1.00 F4 A:ALF1502 0.0 90.0 1.0 MG A:MG1503 1.7 88.6 1.0 AL A:ALF1502 1.8 90.0 1.0 OD1 A:ASP560 2.5 85.8 1.0 F1 A:ALF1502 2.5 90.0 1.0 F2 A:ALF1502 2.5 90.0 1.0 OD2 A:ASP560 2.6 85.8 1.0 O A:HOH1601 2.6 90.5 1.0 O A:THR562 2.7 88.5 1.0 O A:HOH1602 2.7 88.7 1.0 OG1 A:THR562 2.7 88.5 1.0 CG A:ASP560 2.9 85.8 1.0 C A:THR562 3.6 88.5 1.0 F3 A:ALF1502 3.6 90.0 1.0 N A:THR562 3.7 88.5 1.0 CB A:THR562 3.8 88.5 1.0 OD1 A:ASP954 3.8 87.4 1.0 CA A:THR562 3.8 88.5 1.0 O A:GLY341 3.9 102.9 1.0 CA A:GLY341 4.2 102.9 1.0 OE2 A:GLU342 4.2 103.3 1.0 C A:GLY341 4.4 102.9 1.0 CB A:ASP560 4.4 85.8 1.0 C A:LYS561 4.5 86.4 1.0 N A:LYS561 4.6 86.4 1.0 N A:GLY563 4.7 87.4 1.0 CG A:ASP954 4.8 87.4 1.0 CD A:GLU342 4.9 103.3 1.0 OE1 A:GLU342 4.9 103.3 1.0 C A:ASP560 5.0 85.8 1.0

M.Timcenko, T.Dieudonne, C.Montigny, T.Boesen, J.A.Lyons, G.Lenoir, P.Nissen. Structural Basis of Substrate-Independent Phosphorylation in A P4-Atpase Lipid Flippase J.Mol.Biol. 67062 2021.
ISSN: ESSN 1089-8638
PubMed: 34023399
DOI: 10.1016/J.JMB.2021.167062