Fluorine in PDB 7si3: Consensus Structure of ATP7B

All present enzymatic activity of Consensus Structure of ATP7B:
7.2.2.8;

The structure of Consensus Structure of ATP7B also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Consensus Structure of ATP7B (pdb code 7si3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Consensus Structure of ATP7B, PDB code: 7si3:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Consensus Structure of ATP7B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Consensus Structure of ATP7B within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:40.4 occ:1.00 F1 A:ALF1502 0.0 40.4 1.0 AL A:ALF1502 1.8 40.4 1.0 HZ1 A:LYS1254 1.8 43.2 1.0 HD21 A:ASN1276 1.9 43.6 1.0 F4 A:ALF1502 2.5 40.4 1.0 F3 A:ALF1502 2.5 40.4 1.0 ND2 A:ASN1276 2.6 43.6 1.0 NZ A:LYS1254 2.6 43.2 1.0 HZ2 A:LYS1254 2.7 43.2 1.0 HD22 A:ASN1276 2.7 43.6 1.0 OD1 A:ASP1024 2.8 42.8 1.0 H A:GLY1227 3.0 41.5 1.0 HE3 A:LYS1254 3.1 43.2 1.0 HA A:THR1226 3.2 47.1 1.0 HZ3 A:LYS1254 3.3 43.2 1.0 CE A:LYS1254 3.4 43.2 1.0 OD1 A:ASP1277 3.5 43.6 1.0 F2 A:ALF1502 3.6 40.4 1.0 HE2 A:LYS1254 3.6 43.2 1.0 CG A:ASP1024 3.6 42.8 1.0 HG1 A:THR1226 3.7 47.1 1.0 N A:GLY1227 3.7 41.5 1.0 CG A:ASN1276 3.8 43.6 1.0 O A:THR855 3.9 46.4 1.0 OD2 A:ASP1024 4.0 42.8 1.0 CA A:THR1226 4.1 47.1 1.0 HA3 A:GLY856 4.1 48.8 1.0 OD1 A:ASN1276 4.2 43.6 1.0 HA3 A:GLY1227 4.2 41.5 1.0 C A:THR1226 4.3 47.1 1.0 OG1 A:THR1226 4.3 47.1 1.0 CG A:ASP1277 4.3 43.6 1.0 OD2 A:ASP1277 4.4 43.6 1.0 CA A:GLY1227 4.6 41.5 1.0 HB2 A:ASP1024 4.7 42.8 1.0 CD A:LYS1254 4.7 43.2 1.0 O A:ILE1225 4.8 43.9 1.0 HB2 A:ASN1276 4.8 43.6 1.0 CB A:THR1226 4.8 47.1 1.0 CB A:ASP1024 4.8 42.8 1.0 C A:THR855 4.9 46.4 1.0 H A:LYS1025 4.9 48.4 1.0 HD2 A:LYS1254 4.9 43.2 1.0 CB A:ASN1276 5.0 43.6 1.0

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


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Consensus Structure of ATP7B within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:40.4 occ:1.00 F2 A:ALF1502 0.0 40.4 1.0 AL A:ALF1502 1.8 40.4 1.0 MG A:MG1501 2.0 43.6 1.0 OG1 A:THR1026 2.1 43.2 1.0 OD2 A:ASP1024 2.2 42.8 1.0 F3 A:ALF1502 2.5 40.4 1.0 F4 A:ALF1502 2.5 40.4 1.0 CG A:ASP1024 3.1 42.8 1.0 OD1 A:ASP1024 3.2 42.8 1.0 H A:THR1026 3.3 43.2 1.0 O A:THR1026 3.4 43.2 1.0 CB A:THR1026 3.5 43.2 1.0 F1 A:ALF1502 3.6 40.4 1.0 HA3 A:GLY856 3.7 48.8 1.0 N A:THR1026 3.9 43.2 1.0 HB A:THR1026 4.0 43.2 1.0 OD1 A:ASP1273 4.0 31.6 1.0 HD21 A:ASN1276 4.0 43.6 1.0 CA A:THR1026 4.0 43.2 1.0 O A:GLY856 4.1 48.8 1.0 C A:THR1026 4.1 43.2 1.0 HG1 A:THR1226 4.1 47.1 1.0 HG23 A:THR1026 4.3 43.2 1.0 C A:GLY856 4.4 48.8 1.0 CA A:GLY856 4.4 48.8 1.0 CG2 A:THR1026 4.5 43.2 1.0 H A:LYS1025 4.5 48.4 1.0 OD2 A:ASP1277 4.5 43.6 1.0 CB A:ASP1024 4.5 42.8 1.0 HG21 A:THR1026 4.6 43.2 1.0 HB3 A:ASP1024 4.7 42.8 1.0 HA2 A:GLY856 4.8 48.8 1.0 HA3 A:GLY1274 4.8 37.1 1.0 ND2 A:ASN1276 4.9 43.6 1.0 O A:THR855 4.9 46.4 1.0 OG1 A:THR1226 4.9 47.1 1.0 N A:LYS1025 4.9 48.4 1.0 H A:GLY1274 4.9 37.1 1.0 HB2 A:ASP1024 4.9 42.8 1.0 HZ1 A:LYS1254 5.0 43.2 1.0 HA A:THR1026 5.0 43.2 1.0 OD1 A:ASN1276 5.0 43.6 1.0

Fluorine binding site 3 out of 4 in the Consensus Structure of ATP7B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Consensus Structure of ATP7B within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:40.4 occ:1.00 F3 A:ALF1502 0.0 40.4 1.0 AL A:ALF1502 1.8 40.4 1.0 HD21 A:ASN1276 2.2 43.6 1.0 F2 A:ALF1502 2.5 40.4 1.0 F1 A:ALF1502 2.5 40.4 1.0 OD2 A:ASP1277 2.7 43.6 1.0 OD1 A:ASN1276 2.8 43.6 1.0 ND2 A:ASN1276 2.9 43.6 1.0 OD2 A:ASP1024 3.0 42.8 1.0 OD1 A:ASP1277 3.2 43.6 1.0 CG A:ASN1276 3.2 43.6 1.0 CG A:ASP1277 3.2 43.6 1.0 MG A:MG1501 3.3 43.6 1.0 CG A:ASP1024 3.4 42.8 1.0 OD1 A:ASP1024 3.5 42.8 1.0 HA3 A:GLY856 3.5 48.8 1.0 HA3 A:GLY1274 3.5 37.1 1.0 F4 A:ALF1502 3.6 40.4 1.0 HD22 A:ASN1276 3.6 43.6 1.0 H A:GLY1274 3.6 37.1 1.0 HZ2 A:LYS1254 3.7 43.2 1.0 HZ1 A:LYS1254 3.7 43.2 1.0 NZ A:LYS1254 4.1 43.2 1.0 H A:ASP1277 4.3 43.6 1.0 N A:GLY1274 4.3 37.1 1.0 CA A:GLY1274 4.3 37.1 1.0 OD1 A:ASP1273 4.3 31.6 1.0 CA A:GLY856 4.4 48.8 1.0 HA2 A:GLY856 4.4 48.8 1.0 H A:ASP1273 4.5 31.6 1.0 HB2 A:ASP1024 4.5 42.8 1.0 CB A:ASP1277 4.6 43.6 1.0 CB A:ASP1024 4.6 42.8 1.0 OG1 A:THR1026 4.6 43.2 1.0 N A:ASP1277 4.7 43.6 1.0 CB A:ASN1276 4.7 43.6 1.0 HB2 A:ASP1277 4.7 43.6 1.0 HZ3 A:LYS1254 4.7 43.2 1.0 HE3 A:LYS1254 4.7 43.2 1.0 O A:THR855 4.7 46.4 1.0 H A:ASN1276 4.7 43.6 1.0 HB3 A:ASP1024 4.9 42.8 1.0 C A:GLY1274 4.9 37.1 1.0 HA2 A:GLY1274 5.0 37.1 1.0 HB2 A:ASN1276 5.0 43.6 1.0

Fluorine binding site 4 out of 4 in the Consensus Structure of ATP7B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Consensus Structure of ATP7B within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:40.4 occ:1.00 F4 A:ALF1502 0.0 40.4 1.0 AL A:ALF1502 1.8 40.4 1.0 HG1 A:THR1226 1.8 47.1 1.0 OD1 A:ASP1024 2.5 42.8 1.0 F1 A:ALF1502 2.5 40.4 1.0 F2 A:ALF1502 2.5 40.4 1.0 OG1 A:THR1226 2.6 47.1 1.0 H A:GLY1227 2.7 41.5 1.0 HA A:THR1226 3.2 47.1 1.0 H A:THR1026 3.3 43.2 1.0 OG1 A:THR1026 3.3 43.2 1.0 CG A:ASP1024 3.3 42.8 1.0 OD2 A:ASP1024 3.4 42.8 1.0 H A:LYS1025 3.5 48.4 1.0 N A:GLY1227 3.6 41.5 1.0 F3 A:ALF1502 3.6 40.4 1.0 CB A:THR1226 3.6 47.1 1.0 HZ1 A:LYS1254 3.8 43.2 1.0 CA A:THR1226 3.8 47.1 1.0 HB3 A:LYS1025 3.8 48.4 1.0 HB A:THR1226 3.9 47.1 1.0 HD21 A:ASN1276 3.9 43.6 1.0 HG23 A:THR1026 4.0 43.2 1.0 O A:THR855 4.1 46.4 1.0 N A:THR1026 4.1 43.2 1.0 OE2 A:GLU857 4.1 58.0 1.0 C A:THR1226 4.2 47.1 1.0 N A:LYS1025 4.3 48.4 1.0 HA3 A:GLY856 4.3 48.8 1.0 H A:ASP1228 4.3 50.6 1.0 MG A:MG1501 4.4 43.6 1.0 CB A:THR1026 4.4 43.2 1.0 HA3 A:GLY1227 4.5 41.5 1.0 CA A:GLY1227 4.6 41.5 1.0 CG2 A:THR1026 4.6 43.2 1.0 CB A:LYS1025 4.6 48.4 1.0 NZ A:LYS1254 4.6 43.2 1.0 HE3 A:LYS1025 4.7 48.4 1.0 ND2 A:ASN1276 4.7 43.6 1.0 CB A:ASP1024 4.8 42.8 1.0 CD A:GLU857 4.8 58.0 1.0 HB2 A:ASP1228 4.8 50.6 1.0 N A:ASP1228 4.8 50.6 1.0 HB2 A:LYS1025 4.8 48.4 1.0 HG21 A:THR1026 4.8 43.2 1.0 HA A:ASP1024 4.8 42.8 1.0 HZ2 A:LYS1254 4.8 43.2 1.0 CA A:LYS1025 4.9 48.4 1.0 CA A:THR1026 4.9 43.2 1.0 HG3 A:GLU857 4.9 58.0 1.0 O A:ILE1225 4.9 43.9 1.0 CG2 A:THR1226 4.9 47.1 1.0 HZ3 A:LYS1254 4.9 43.2 1.0 HD22 A:ASN1276 5.0 43.6 1.0 HG23 A:THR1226 5.0 47.1 1.0 C A:LYS1025 5.0 48.4 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