Fluorine in PDB 7m5y: Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride

The structure of Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride (pdb code 7m5y). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride, PDB code: 7m5y:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:74.4 occ:1.00 F1 A:MF41202 0.0 74.4 1.0 MG A:MF41202 1.8 74.4 1.0 H A:LYS514 1.8 71.4 1.0 H A:THR515 2.2 74.4 1.0 OD1 A:ASP513 2.5 71.1 1.0 HB3 A:LYS514 2.6 71.4 1.0 N A:LYS514 2.6 71.4 1.0 F2 A:MF41202 2.9 74.4 1.0 F3 A:MF41202 2.9 74.4 1.0 F4 A:MF41202 2.9 74.4 1.0 N A:THR515 2.9 74.4 1.0 HA A:THR750 2.9 69.9 1.0 OG1 A:THR750 3.0 69.9 1.0 CG A:ASP513 3.1 71.1 1.0 CB A:LYS514 3.2 71.4 1.0 CA A:LYS514 3.2 71.4 1.0 OD2 A:ASP513 3.3 71.1 1.0 HB2 A:LYS514 3.3 71.4 1.0 HB A:THR750 3.4 69.9 1.0 HG1 A:THR750 3.5 69.9 1.0 H A:GLY751 3.5 68.5 1.0 C A:LYS514 3.5 71.4 1.0 CB A:THR750 3.6 69.9 1.0 HA A:ASP513 3.7 71.1 1.0 CA A:THR750 3.7 69.9 1.0 C A:ASP513 3.7 71.1 1.0 HB A:THR515 3.7 74.4 1.0 CA A:ASP513 4.0 71.1 1.0 OG1 A:THR515 4.1 74.4 1.0 CA A:THR515 4.1 74.4 1.0 CB A:ASP513 4.1 71.1 1.0 HA A:LYS514 4.1 71.4 1.0 N A:GLY751 4.1 68.5 1.0 CB A:THR515 4.2 74.4 1.0 HE3 A:LYS514 4.2 71.4 1.0 HZ1 A:LYS859 4.3 71.2 1.0 H A:ASP752 4.3 70.7 1.0 HG1 A:THR515 4.4 74.4 1.0 O A:VAL749 4.4 69.1 1.0 HB2 A:ASP752 4.4 70.7 1.0 O A:THR515 4.5 74.4 1.0 C A:THR750 4.5 69.9 1.0 MG A:MG1201 4.5 62.6 1.0 CG A:LYS514 4.6 71.4 1.0 HB3 A:ASP513 4.7 71.1 1.0 O A:LYS514 4.7 71.4 1.0 HB2 A:ASP513 4.7 71.1 1.0 HZ1 A:LYS514 4.7 71.4 1.0 O A:ASP513 4.8 71.1 1.0 HG2 A:LYS514 4.8 71.4 1.0 C A:THR515 4.8 74.4 1.0 N A:THR750 4.8 69.9 1.0 OE2 A:GLU348 4.8 75.0 1.0 HA A:THR515 4.8 74.4 1.0 HD22 A:ASN881 4.8 72.9 1.0 HA3 A:GLY347 5.0 72.2 1.0 C A:VAL749 5.0 69.1 1.0 CE A:LYS514 5.0 71.4 1.0

Fluorine binding site 2 out of 4 in the Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:74.4 occ:1.00 F2 A:MF41202 0.0 74.4 1.0 MG A:MF41202 1.8 74.4 1.0 HG1 A:THR515 2.3 74.4 1.0 OE2 A:GLU348 2.4 75.0 1.0 OG1 A:THR515 2.5 74.4 1.0 HB A:THR515 2.6 74.4 1.0 F1 A:MF41202 2.9 74.4 1.0 F3 A:MF41202 2.9 74.4 1.0 F4 A:MF41202 2.9 74.4 1.0 CD A:GLU348 3.0 75.0 1.0 H A:THR515 3.0 74.4 1.0 CB A:THR515 3.0 74.4 1.0 HG3 A:GLU348 3.1 75.0 1.0 HB2 A:ASP752 3.3 70.7 1.0 CG A:GLU348 3.6 75.0 1.0 HA3 A:GLY347 3.6 72.2 1.0 OE1 A:GLU348 3.8 75.0 1.0 N A:THR515 3.8 74.4 1.0 OG1 A:THR750 3.8 69.9 1.0 O A:THR346 3.8 71.2 1.0 O A:GLY347 3.8 72.2 1.0 C A:GLY347 3.9 72.2 1.0 H A:GLY751 3.9 68.5 1.0 HB3 A:LYS514 3.9 71.4 1.0 H A:ASP752 3.9 70.7 1.0 HG1 A:THR750 3.9 69.9 1.0 CA A:THR515 4.0 74.4 1.0 HG21 A:THR515 4.1 74.4 1.0 HG2 A:GLU348 4.2 75.0 1.0 N A:ASP752 4.2 70.7 1.0 CG2 A:THR515 4.2 74.4 1.0 CB A:ASP752 4.2 70.7 1.0 HE3 A:LYS514 4.2 71.4 1.0 CA A:GLY347 4.2 72.2 1.0 N A:GLU348 4.3 75.0 1.0 HZ1 A:LYS514 4.3 71.4 1.0 HA A:GLU348 4.5 75.0 1.0 N A:GLY751 4.5 68.5 1.0 HZ3 A:LYS514 4.6 71.4 1.0 HA A:ASP752 4.6 70.7 1.0 H A:LYS514 4.6 71.4 1.0 CA A:ASP752 4.6 70.7 1.0 H A:GLU348 4.6 75.0 1.0 OD2 A:ASP752 4.6 70.7 1.0 HG22 A:THR515 4.7 74.4 1.0 HA A:THR515 4.7 74.4 1.0 OD1 A:ASP513 4.7 71.1 1.0 C A:GLY751 4.7 68.5 1.0 CA A:GLU348 4.8 75.0 1.0 CG A:ASP752 4.8 70.7 1.0 CB A:GLU348 4.8 75.0 1.0 C A:THR346 4.8 71.2 1.0 NZ A:LYS514 4.8 71.4 1.0 HA3 A:GLY751 4.8 68.5 1.0 MG A:MG1201 4.8 62.6 1.0 CB A:LYS514 4.8 71.4 1.0 HA A:THR750 4.9 69.9 1.0 HB3 A:ASP752 4.9 70.7 1.0 HG23 A:THR515 4.9 74.4 1.0 OD2 A:ASP513 4.9 71.1 1.0 C A:LYS514 4.9 71.4 1.0 CA A:GLY751 4.9 68.5 1.0 O A:THR515 5.0 74.4 1.0 HA2 A:GLY347 5.0 72.2 1.0 CE A:LYS514 5.0 71.4 1.0

Fluorine binding site 3 out of 4 in the Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:74.4 occ:1.00 F3 A:MF41202 0.0 74.4 1.0 MG A:MF41202 1.8 74.4 1.0 H A:GLY751 1.9 68.5 1.0 O A:THR346 2.7 71.2 1.0 N A:GLY751 2.7 68.5 1.0 HD22 A:ASN881 2.7 72.9 1.0 F4 A:MF41202 2.9 74.4 1.0 F1 A:MF41202 2.9 74.4 1.0 F2 A:MF41202 2.9 74.4 1.0 HA3 A:GLY347 3.0 72.2 1.0 HA3 A:GLY751 3.1 68.5 1.0 HZ1 A:LYS859 3.1 71.2 1.0 OD1 A:ASP513 3.2 71.1 1.0 HA A:THR750 3.3 69.9 1.0 ND2 A:ASN881 3.3 72.9 1.0 CA A:GLY751 3.4 68.5 1.0 HD21 A:ASN881 3.4 72.9 1.0 C A:THR346 3.7 71.2 1.0 C A:THR750 3.8 69.9 1.0 OG1 A:THR750 3.8 69.9 1.0 CA A:GLY347 3.9 72.2 1.0 H A:ASP752 3.9 70.7 1.0 NZ A:LYS859 3.9 71.2 1.0 HZ2 A:LYS859 4.0 71.2 1.0 CA A:THR750 4.0 69.9 1.0 OE2 A:GLU348 4.0 75.0 1.0 C A:GLY751 4.1 68.5 1.0 N A:ASP752 4.2 70.7 1.0 N A:GLY347 4.2 72.2 1.0 HA2 A:GLY751 4.2 68.5 1.0 CG A:ASP513 4.3 71.1 1.0 HZ3 A:LYS859 4.4 71.2 1.0 HA2 A:GLY347 4.5 72.2 1.0 CG A:ASN881 4.5 72.9 1.0 H A:THR515 4.5 74.4 1.0 H A:LYS514 4.5 71.4 1.0 HG1 A:THR750 4.5 69.9 1.0 OE1 A:GLU348 4.5 75.0 1.0 CD A:GLU348 4.5 75.0 1.0 OD2 A:ASP513 4.5 71.1 1.0 CB A:THR750 4.5 69.9 1.0 C A:GLY347 4.6 72.2 1.0 HB A:THR515 4.7 74.4 1.0 HE3 A:LYS859 4.7 71.2 1.0 HA A:THR346 4.7 71.2 1.0 CE A:LYS859 4.8 71.2 1.0 HB2 A:ASP752 4.9 70.7 1.0 HE2 A:LYS859 4.9 71.2 1.0 MG A:MG1201 4.9 62.6 1.0 O A:THR750 4.9 69.9 1.0 CA A:THR346 4.9 71.2 1.0 OD1 A:ASN881 4.9 72.9 1.0 O A:GLY347 4.9 72.2 1.0 HB A:THR750 5.0 69.9 1.0

Fluorine binding site 4 out of 4 in the Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:74.4 occ:1.00 F4 A:MF41202 0.0 74.4 1.0 MG A:MF41202 1.8 74.4 1.0 MG A:MG1201 2.1 62.6 1.0 OD2 A:ASP513 2.5 71.1 1.0 HB A:THR515 2.6 74.4 1.0 F3 A:MF41202 2.9 74.4 1.0 HA3 A:GLY347 2.9 72.2 1.0 OD1 A:ASP513 2.9 71.1 1.0 F1 A:MF41202 2.9 74.4 1.0 F2 A:MF41202 2.9 74.4 1.0 CG A:ASP513 3.1 71.1 1.0 H A:THR515 3.2 74.4 1.0 O A:THR515 3.3 74.4 1.0 CB A:THR515 3.5 74.4 1.0 O A:GLY347 3.6 72.2 1.0 HD22 A:ASN881 3.6 72.9 1.0 CA A:GLY347 3.7 72.2 1.0 N A:THR515 3.8 74.4 1.0 HA2 A:GLY347 3.9 72.2 1.0 C A:GLY347 3.9 72.2 1.0 CA A:THR515 4.0 74.4 1.0 C A:THR515 4.0 74.4 1.0 OG1 A:THR515 4.1 74.4 1.0 H A:LYS514 4.2 71.4 1.0 HG1 A:THR515 4.2 74.4 1.0 ND2 A:ASN881 4.4 72.9 1.0 HG22 A:THR515 4.4 74.4 1.0 OD1 A:ASP878 4.5 72.8 1.0 O A:THR346 4.5 71.2 1.0 CG2 A:THR515 4.5 74.4 1.0 CB A:ASP513 4.6 71.1 1.0 OD1 A:ASN881 4.6 72.9 1.0 H A:GLY751 4.6 68.5 1.0 N A:LYS514 4.7 71.4 1.0 HZ1 A:LYS859 4.8 71.2 1.0 HG21 A:THR515 4.8 74.4 1.0 C A:LYS514 4.8 71.4 1.0 HB3 A:ASP513 4.9 71.1 1.0 N A:GLY347 4.9 72.2 1.0 HA A:THR515 4.9 74.4 1.0 CG A:ASN881 4.9 72.9 1.0 HA3 A:GLY879 5.0 74.1 1.0 HD21 A:ASN881 5.0 72.9 1.0

J.Tillinghast, S.Drury, D.Bowser, A.Benn, K.P.K.Lee. Structural Mechanisms For Gating and Ion Selectivity of the Human Polyamine Transporter ATP13A2. Mol.Cell V. 81 4650 2021.
ISSN: ISSN 1097-2765
PubMed: 34715014
DOI: 10.1016/J.MOLCEL.2021.10.002