Fluorine in PDB 7sps: Crystal Structure of Human Glucose Transporter GLUT3 Bound with Exofacial Inhibitor SA47

The structure of Crystal Structure of Human Glucose Transporter GLUT3 Bound with Exofacial Inhibitor SA47, PDB code: 7sps was solved by N.Wang, X.Jiang, N.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.39 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.591, 121.552, 95.872, 90, 108.14, 90
R / Rfree (%)	21.2 / 23.5

The binding sites of Fluorine atom in the Crystal Structure of Human Glucose Transporter GLUT3 Bound with Exofacial Inhibitor SA47 (pdb code 7sps). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Human Glucose Transporter GLUT3 Bound with Exofacial Inhibitor SA47, PDB code: 7sps:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of Human Glucose Transporter GLUT3 Bound with Exofacial Inhibitor SA47


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Glucose Transporter GLUT3 Bound with Exofacial Inhibitor SA47 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:60.1 occ:0.43 FAG A:A0E501 0.0 60.1 0.4 FAG A:A0E501 0.3 60.0 0.6 CAD A:A0E501 1.3 51.8 0.6 CAD A:A0E501 1.3 51.8 0.4 CAE A:A0E501 2.2 51.4 0.6 CAE A:A0E501 2.3 51.4 0.4 CAC A:A0E501 2.5 49.3 0.4 CAC A:A0E501 2.6 49.4 0.6 CG2 A:THR28 3.0 50.8 1.0 OBL A:A0E501 3.4 62.0 0.6 CAF A:A0E501 3.6 50.4 0.6 CAB A:A0E501 3.7 50.7 0.4 CAF A:A0E501 3.7 50.3 0.4 CAB A:A0E501 3.7 50.6 0.6 CB A:THR28 4.0 51.6 1.0 CBI A:A0E501 4.0 60.4 0.6 CAA A:A0E501 4.2 48.4 0.6 OG1 A:THR28 4.2 51.8 1.0 CAA A:A0E501 4.2 48.4 0.4 OBJ A:A0E501 4.3 53.3 0.6 CBK A:A0E501 4.3 57.4 0.6 CA A:THR28 4.3 38.8 1.0 O A:THR28 4.5 49.7 1.0 OD1 A:ASN413 4.5 50.6 1.0 ND2 A:ASN413 4.6 43.8 1.0 CE2 A:PHE70 4.6 40.2 1.0 NAJ A:A0E501 4.7 49.1 0.6 CD2 A:PHE70 4.8 42.4 1.0 C A:THR28 4.8 44.6 1.0 NAJ A:A0E501 4.9 49.8 0.4 CG A:ASN413 4.9 52.0 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of Human Glucose Transporter GLUT3 Bound with Exofacial Inhibitor SA47


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Glucose Transporter GLUT3 Bound with Exofacial Inhibitor SA47 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:60.0 occ:0.57 FAG A:A0E501 0.0 60.0 0.6 FAG A:A0E501 0.3 60.1 0.4 CAD A:A0E501 1.3 51.8 0.6 CAD A:A0E501 1.4 51.8 0.4 CAE A:A0E501 2.3 51.4 0.6 CAC A:A0E501 2.4 49.3 0.4 CAC A:A0E501 2.5 49.4 0.6 CAE A:A0E501 2.5 51.4 0.4 CG2 A:THR28 3.0 50.8 1.0 OBL A:A0E501 3.6 62.0 0.6 CAB A:A0E501 3.7 50.7 0.4 CAB A:A0E501 3.7 50.6 0.6 CAF A:A0E501 3.7 50.4 0.6 CAF A:A0E501 3.8 50.3 0.4 CB A:THR28 3.9 51.6 1.0 OG1 A:THR28 4.1 51.8 1.0 CBI A:A0E501 4.2 60.4 0.6 CAA A:A0E501 4.2 48.4 0.6 CA A:THR28 4.2 38.8 1.0 CAA A:A0E501 4.2 48.4 0.4 CE2 A:PHE70 4.3 40.2 1.0 OBJ A:A0E501 4.4 53.3 0.6 CBK A:A0E501 4.4 57.4 0.6 O A:THR28 4.5 49.7 1.0 CD2 A:PHE70 4.5 42.4 1.0 OD1 A:ASN413 4.6 50.6 1.0 ND2 A:ASN413 4.7 43.8 1.0 C A:THR28 4.8 44.6 1.0 NAJ A:A0E501 4.9 49.1 0.6 OG A:SER71 5.0 54.1 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of Human Glucose Transporter GLUT3 Bound with Exofacial Inhibitor SA47


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Glucose Transporter GLUT3 Bound with Exofacial Inhibitor SA47 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:66.1 occ:0.47 FAG B:A0E501 0.0 66.1 0.5 FAG B:A0E501 0.0 66.0 0.4 CAD B:A0E501 1.3 57.6 0.5 CAD B:A0E501 1.3 57.6 0.4 CAE B:A0E501 2.3 57.6 0.5 CAE B:A0E501 2.3 57.5 0.4 CAC B:A0E501 2.5 53.9 0.5 CAC B:A0E501 2.5 53.9 0.4 CG2 B:THR28 3.2 51.1 1.0 CAB B:A0E501 3.7 51.4 0.5 CAB B:A0E501 3.7 51.7 0.4 CAF B:A0E501 3.7 55.8 0.5 CAF B:A0E501 3.7 55.8 0.4 OD1 B:ASN413 3.8 49.1 1.0 OBJ B:A0E501 3.9 55.2 0.4 CAA B:A0E501 4.2 53.5 0.5 CAA B:A0E501 4.2 53.6 0.4 ND2 B:ASN413 4.3 46.7 1.0 CBH B:A0E501 4.3 54.9 0.4 CG B:ASN413 4.4 50.5 1.0 CB B:THR28 4.4 50.2 1.0 CBK B:A0E501 4.4 53.7 0.4 OG1 B:THR28 4.5 46.6 1.0 O B:HOH655 4.5 45.7 1.0 O B:HOH651 4.6 59.8 1.0 CBI B:A0E501 4.6 56.8 0.4 NAJ B:A0E501 4.9 53.8 0.5 NAJ B:A0E501 4.9 53.8 0.4 O B:THR28 4.9 46.2 1.0 CA B:THR28 5.0 43.3 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of Human Glucose Transporter GLUT3 Bound with Exofacial Inhibitor SA47


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human Glucose Transporter GLUT3 Bound with Exofacial Inhibitor SA47 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:66.0 occ:0.39 FAG B:A0E501 0.0 66.0 0.4 FAG B:A0E501 0.0 66.1 0.5 CAD B:A0E501 1.3 57.6 0.5 CAD B:A0E501 1.3 57.6 0.4 CAE B:A0E501 2.3 57.6 0.5 CAE B:A0E501 2.3 57.5 0.4 CAC B:A0E501 2.5 53.9 0.5 CAC B:A0E501 2.5 53.9 0.4 CG2 B:THR28 3.2 51.1 1.0 CAB B:A0E501 3.7 51.4 0.5 CAB B:A0E501 3.7 51.7 0.4 CAF B:A0E501 3.7 55.8 0.5 CAF B:A0E501 3.7 55.8 0.4 OD1 B:ASN413 3.8 49.1 1.0 OBJ B:A0E501 3.9 55.2 0.4 CAA B:A0E501 4.2 53.5 0.5 CAA B:A0E501 4.2 53.6 0.4 CBH B:A0E501 4.3 54.9 0.4 ND2 B:ASN413 4.3 46.7 1.0 CB B:THR28 4.4 50.2 1.0 CG B:ASN413 4.4 50.5 1.0 CBK B:A0E501 4.4 53.7 0.4 OG1 B:THR28 4.5 46.6 1.0 O B:HOH655 4.5 45.7 1.0 O B:HOH651 4.6 59.8 1.0 CBI B:A0E501 4.6 56.8 0.4 NAJ B:A0E501 4.9 53.8 0.5 NAJ B:A0E501 4.9 53.8 0.4 O B:THR28 4.9 46.2 1.0 CA B:THR28 5.0 43.3 1.0

N.Wang, S.Zhang, Y.Yuan, H.Xu, E.Defossa, H.Matter, M.Besenius, V.Derdau, M.Dreyer, N.Halland, K.H.He, S.Petry, M.Podeschwa, N.Tennagels, X.Jiang, N.Yan. Molecular Basis For Inhibiting Human Glucose Transporters By Exofacial Inhibitors. Nat Commun V. 13 2632 2022.
ISSN: ESSN 2041-1723
PubMed: 35552392
DOI: 10.1038/S41467-022-30326-3