Fluorine in PDB 7si7: Structure of ATP7B in State 2

All present enzymatic activity of Structure of ATP7B in State 2:
7.2.2.8;

The structure of Structure of ATP7B in State 2 also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Structure of ATP7B in State 2 (pdb code 7si7). 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 ATP7B in State 2, PDB code: 7si7:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of ATP7B in State 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of ATP7B in State 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:48.0 occ:1.00 F1 A:ALF1502 0.0 48.0 1.0 AL A:ALF1502 1.8 48.0 1.0 HD21 A:ASN1276 2.3 43.8 1.0 HZ1 A:LYS1254 2.5 46.2 1.0 F4 A:ALF1502 2.5 48.0 1.0 F3 A:ALF1502 2.5 48.0 1.0 H A:GLY1227 2.8 50.0 1.0 ND2 A:ASN1276 2.8 43.8 1.0 OD2 A:ASP1024 2.9 45.7 1.0 HD22 A:ASN1276 2.9 43.8 1.0 HE3 A:LYS1254 3.0 46.2 1.0 HA A:THR1226 3.1 49.5 1.0 NZ A:LYS1254 3.2 46.2 1.0 HZ2 A:LYS1254 3.4 46.2 1.0 CE A:LYS1254 3.4 46.2 1.0 HG1 A:THR1226 3.5 49.5 1.0 N A:GLY1227 3.5 50.0 1.0 F2 A:ALF1502 3.6 48.0 1.0 HE2 A:LYS1254 3.6 46.2 1.0 CG A:ASP1024 3.7 45.7 1.0 O A:THR855 3.7 54.9 1.0 OD1 A:ASP1024 3.8 45.7 1.0 HZ3 A:LYS1254 3.9 46.2 1.0 CG A:ASN1276 4.0 43.8 1.0 HA3 A:GLY856 4.0 53.8 1.0 CA A:THR1226 4.0 49.5 1.0 OD1 A:ASP1277 4.1 41.8 1.0 HA3 A:GLY1227 4.1 50.0 1.0 OG1 A:THR1226 4.2 49.5 1.0 C A:THR1226 4.2 49.5 1.0 CA A:GLY1227 4.4 50.0 1.0 OD1 A:ASN1276 4.5 43.8 1.0 OD2 A:ASP1277 4.6 41.8 1.0 CB A:THR1226 4.7 49.5 1.0 CG A:ASP1277 4.7 41.8 1.0 C A:THR855 4.7 54.9 1.0 O A:ILE1225 4.8 46.9 1.0 H A:LYS1025 4.8 48.9 1.0 CD A:LYS1254 4.9 46.2 1.0 HB2 A:ASN1276 4.9 43.8 1.0 CA A:GLY856 4.9 53.8 1.0 HB A:THR1226 4.9 49.5 1.0

Fluorine binding site 2 out of 4 in the Structure of ATP7B in State 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of ATP7B in State 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:48.0 occ:1.00 F2 A:ALF1502 0.0 48.0 1.0 AL A:ALF1502 1.8 48.0 1.0 MG A:MG1501 2.1 36.9 1.0 OD1 A:ASP1024 2.2 45.7 1.0 HB A:THR1026 2.5 49.4 1.0 F3 A:ALF1502 2.5 48.0 1.0 F4 A:ALF1502 2.5 48.0 1.0 O A:THR1026 3.0 49.4 1.0 CG A:ASP1024 3.0 45.7 1.0 H A:THR1026 3.0 49.4 1.0 OD2 A:ASP1024 3.2 45.7 1.0 CB A:THR1026 3.4 49.4 1.0 F1 A:ALF1502 3.6 48.0 1.0 N A:THR1026 3.6 49.4 1.0 C A:THR1026 3.7 49.4 1.0 CA A:THR1026 3.7 49.4 1.0 OG1 A:THR1026 3.9 49.4 1.0 HA3 A:GLY856 4.1 53.8 1.0 HD21 A:ASN1276 4.2 43.8 1.0 H A:LYS1025 4.2 48.9 1.0 HG1 A:THR1226 4.3 49.5 1.0 HB3 A:ASP1024 4.3 45.7 1.0 CB A:ASP1024 4.3 45.7 1.0 OD1 A:ASP1273 4.4 42.7 1.0 OD2 A:ASP1277 4.5 41.8 1.0 O A:GLY856 4.5 53.8 1.0 CG2 A:THR1026 4.5 49.4 1.0 HG22 A:THR1026 4.5 49.4 1.0 N A:LYS1025 4.6 48.9 1.0 C A:LYS1025 4.7 48.9 1.0 HA A:THR1026 4.7 49.4 1.0 HG21 A:THR1026 4.7 49.4 1.0 C A:GLY856 4.8 53.8 1.0 HB2 A:ASP1024 4.9 45.7 1.0 CA A:GLY856 4.9 53.8 1.0 N A:GLY1027 4.9 47.9 1.0 HB3 A:LYS1025 5.0 48.9 1.0

Fluorine binding site 3 out of 4 in the Structure of ATP7B in State 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of ATP7B in State 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:48.0 occ:1.00 F3 A:ALF1502 0.0 48.0 1.0 AL A:ALF1502 1.8 48.0 1.0 HD21 A:ASN1276 2.3 43.8 1.0 OD2 A:ASP1024 2.4 45.7 1.0 F2 A:ALF1502 2.5 48.0 1.0 F1 A:ALF1502 2.5 48.0 1.0 OD2 A:ASP1277 2.7 41.8 1.0 ND2 A:ASN1276 3.0 43.8 1.0 OD1 A:ASN1276 3.1 43.8 1.0 CG A:ASP1024 3.1 45.7 1.0 CG A:ASP1277 3.3 41.8 1.0 MG A:MG1501 3.3 36.9 1.0 OD1 A:ASP1024 3.4 45.7 1.0 OD1 A:ASP1277 3.4 41.8 1.0 CG A:ASN1276 3.4 43.8 1.0 F4 A:ALF1502 3.6 48.0 1.0 HA3 A:GLY856 3.6 53.8 1.0 HD22 A:ASN1276 3.6 43.8 1.0 HA3 A:GLY1274 3.8 43.0 1.0 HE3 A:LYS1254 3.9 46.2 1.0 HZ1 A:LYS1254 4.2 46.2 1.0 HZ2 A:LYS1254 4.3 46.2 1.0 CB A:ASP1024 4.4 45.7 1.0 H A:ASP1277 4.4 41.8 1.0 HB2 A:ASP1024 4.5 45.7 1.0 CA A:GLY856 4.6 53.8 1.0 NZ A:LYS1254 4.6 46.2 1.0 CB A:ASP1277 4.7 41.8 1.0 H A:ASP1273 4.7 42.7 1.0 CA A:GLY1274 4.7 43.0 1.0 HA2 A:GLY856 4.7 53.8 1.0 CE A:LYS1254 4.7 46.2 1.0 HB3 A:ASP1024 4.7 45.7 1.0 HB2 A:ASP1277 4.8 41.8 1.0 CB A:ASN1276 4.8 43.8 1.0 O A:THR855 4.9 54.9 1.0 N A:ASP1277 4.9 41.8 1.0 OD1 A:ASP1273 4.9 42.7 1.0 N A:GLY1274 4.9 43.0 1.0 HB A:THR1026 4.9 49.4 1.0 H A:GLY1274 5.0 43.0 1.0

Fluorine binding site 4 out of 4 in the Structure of ATP7B in State 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of ATP7B in State 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:48.0 occ:1.00 F4 A:ALF1502 0.0 48.0 1.0 AL A:ALF1502 1.8 48.0 1.0 HG1 A:THR1226 1.9 49.5 1.0 F1 A:ALF1502 2.5 48.0 1.0 F2 A:ALF1502 2.5 48.0 1.0 OG1 A:THR1226 2.7 49.5 1.0 OD1 A:ASP1024 2.8 45.7 1.0 H A:THR1026 3.0 49.4 1.0 H A:GLY1227 3.1 50.0 1.0 HA A:THR1226 3.4 49.5 1.0 H A:LYS1025 3.5 48.9 1.0 HB A:THR1026 3.5 49.4 1.0 F3 A:ALF1502 3.6 48.0 1.0 CG A:ASP1024 3.6 45.7 1.0 OD2 A:ASP1024 3.6 45.7 1.0 OG1 A:THR1026 3.7 49.4 1.0 HB3 A:LYS1025 3.7 48.9 1.0 CB A:THR1226 3.7 49.5 1.0 N A:THR1026 3.8 49.4 1.0 N A:GLY1227 3.8 50.0 1.0 HB A:THR1226 3.9 49.5 1.0 CA A:THR1226 4.0 49.5 1.0 CB A:THR1026 4.0 49.4 1.0 OE2 A:GLU857 4.1 59.9 1.0 HD21 A:ASN1276 4.2 43.8 1.0 H A:ASP1228 4.2 54.3 1.0 N A:LYS1025 4.3 48.9 1.0 O A:THR855 4.3 54.9 1.0 HB2 A:ASP1228 4.3 54.3 1.0 HZ1 A:LYS1254 4.3 46.2 1.0 HA3 A:GLY856 4.4 53.8 1.0 HE3 A:LYS1025 4.5 48.9 1.0 C A:THR1226 4.5 49.5 1.0 CB A:LYS1025 4.5 48.9 1.0 CA A:THR1026 4.5 49.4 1.0 MG A:MG1501 4.6 36.9 1.0 HG3 A:GLU857 4.6 59.9 1.0 HB2 A:LYS1025 4.7 48.9 1.0 N A:ASP1228 4.7 54.3 1.0 CA A:LYS1025 4.7 48.9 1.0 CD A:GLU857 4.8 59.9 1.0 C A:LYS1025 4.8 48.9 1.0 HA3 A:GLY1227 4.8 50.0 1.0 CA A:GLY1227 4.8 50.0 1.0 O A:THR1026 4.9 49.4 1.0 ND2 A:ASN1276 4.9 43.8 1.0 CB A:ASP1024 5.0 45.7 1.0

R.M.Bitter, S.Oh, Z.Deng, S.Rahman, R.K.Hite, P.Yuan. Structure of the Wilson Disease Copper Transporter ATP7B. Sci Adv V. 8 L5508 2022.
ISSN: ESSN 2375-2548
PubMed: 35245129
DOI: 10.1126/SCIADV.ABL5508