Iodine in PDB 7qur: Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry

The binding sites of Iodine atom in the Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry (pdb code 7qur). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 9 binding sites of Iodine where determined in the Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry, PDB code: 7qur:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iodine binding site 1 out of 9 in the Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry within 5.0Å range: probe atom residue distance (Å) B Occ A:I1313 b:131.1 occ:1.00 I01 A:GE91313 0.0 131.1 1.0 C02 A:GE91313 2.1 84.4 1.0 C06 A:GE91313 3.0 85.2 1.0 C01 A:GE91313 3.0 81.4 1.0 I03 A:GE91313 3.4 117.5 1.0 OH A:TYR660 3.9 74.5 1.0 CZ A:TYR660 4.3 71.7 1.0 C05 A:GE91313 4.3 86.9 1.0 C03 A:GE91313 4.4 77.7 1.0 CB A:GLN675 4.4 69.6 1.0 CE2 A:TYR660 4.5 68.8 1.0 CG2 A:ILE693 4.8 62.1 1.0 CG A:GLN675 4.8 69.7 1.0 C04 A:GE91313 4.9 80.3 1.0 CG1 A:ILE693 4.9 61.8 1.0 CG1 A:VAL656 4.9 66.7 1.0

Iodine binding site 2 out of 9 in the Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry within 5.0Å range: probe atom residue distance (Å) B Occ A:I1313 b:156.8 occ:1.00 I02 A:GE91313 0.0 156.8 1.0 C05 A:GE91313 2.1 86.9 1.0 C06 A:GE91313 3.0 85.2 1.0 C04 A:GE91313 3.0 80.3 1.0 C02 A:GE91313 4.4 84.4 1.0 C03 A:GE91313 4.4 77.7 1.0 OE1 A:GLN675 4.4 75.3 1.0 C01 A:GE91313 4.9 81.4 1.0

Iodine binding site 3 out of 9 in the Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry within 5.0Å range: probe atom residue distance (Å) B Occ A:I1313 b:117.5 occ:1.00 I03 A:GE91313 0.0 117.5 1.0 C01 A:GE91313 2.1 81.4 1.0 C02 A:GE91313 3.0 84.4 1.0 O01 A:GE91313 3.0 68.6 1.0 C03 A:GE91313 3.1 77.7 1.0 I01 A:GE91313 3.4 131.1 1.0 C07 A:GE91313 3.5 71.4 1.0 CE2 A:TYR660 3.6 68.8 1.0 CD2 A:TYR660 3.7 66.1 1.0 CD1 A:TYR695 3.7 54.0 1.0 CG2 A:ILE693 3.8 62.1 1.0 CB A:ILE693 3.8 58.0 1.0 CG A:GLN675 3.9 69.7 1.0 CE1 A:TYR695 3.9 54.4 1.0 C06 A:GE91313 4.3 85.2 1.0 CZ A:TYR660 4.4 71.7 1.0 C04 A:GE91313 4.4 80.3 1.0 CB A:GLN675 4.4 69.6 1.0 CG1 A:ILE693 4.4 61.8 1.0 CG A:TYR660 4.5 66.5 1.0 CG A:TYR695 4.5 54.5 1.0 CB A:SER673 4.6 57.3 1.0 CG2 A:VAL656 4.6 63.5 1.0 CZ A:TYR695 4.9 55.0 1.0 CD A:GLN675 4.9 71.5 1.0 C05 A:GE91313 4.9 86.9 1.0 N01 A:GE91313 4.9 69.8 1.0 OH A:TYR660 4.9 74.5 1.0 O A:ILE693 4.9 56.8 1.0

Iodine binding site 4 out of 9 in the Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry within 5.0Å range: probe atom residue distance (Å) B Occ B:I1313 b:131.1 occ:1.00 I01 B:GE91313 0.0 131.1 1.0 C02 B:GE91313 2.1 84.4 1.0 C06 B:GE91313 3.0 85.2 1.0 C01 B:GE91313 3.0 81.4 1.0 I03 B:GE91313 3.4 117.5 1.0 OH B:TYR660 3.9 74.5 1.0 CZ B:TYR660 4.3 71.7 1.0 C05 B:GE91313 4.3 86.9 1.0 C03 B:GE91313 4.4 77.7 1.0 CB B:GLN675 4.4 69.6 1.0 CE2 B:TYR660 4.5 68.8 1.0 CG2 B:ILE693 4.8 62.1 1.0 CG B:GLN675 4.8 69.7 1.0 C04 B:GE91313 4.9 80.3 1.0 CG1 B:ILE693 4.9 61.8 1.0 CG1 B:VAL656 4.9 66.7 1.0

Iodine binding site 5 out of 9 in the Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry within 5.0Å range: probe atom residue distance (Å) B Occ B:I1313 b:156.8 occ:1.00 I02 B:GE91313 0.0 156.8 1.0 C05 B:GE91313 2.1 86.9 1.0 C06 B:GE91313 3.0 85.2 1.0 C04 B:GE91313 3.0 80.3 1.0 C02 B:GE91313 4.4 84.4 1.0 C03 B:GE91313 4.4 77.7 1.0 OE1 B:GLN675 4.4 75.3 1.0 C01 B:GE91313 4.9 81.4 1.0

Iodine binding site 6 out of 9 in the Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry within 5.0Å range: probe atom residue distance (Å) B Occ B:I1313 b:117.5 occ:1.00 I03 B:GE91313 0.0 117.5 1.0 C01 B:GE91313 2.1 81.4 1.0 C02 B:GE91313 3.0 84.4 1.0 O01 B:GE91313 3.0 68.6 1.0 C03 B:GE91313 3.1 77.7 1.0 I01 B:GE91313 3.4 131.1 1.0 C07 B:GE91313 3.5 71.4 1.0 CE2 B:TYR660 3.6 68.8 1.0 CD2 B:TYR660 3.7 66.1 1.0 CD1 B:TYR695 3.7 54.0 1.0 CG2 B:ILE693 3.8 62.1 1.0 CB B:ILE693 3.8 58.0 1.0 CG B:GLN675 3.9 69.7 1.0 CE1 B:TYR695 3.9 54.4 1.0 C06 B:GE91313 4.3 85.2 1.0 CZ B:TYR660 4.4 71.7 1.0 C04 B:GE91313 4.4 80.3 1.0 CB B:GLN675 4.4 69.6 1.0 CG1 B:ILE693 4.4 61.8 1.0 CG B:TYR660 4.5 66.5 1.0 CG B:TYR695 4.5 54.5 1.0 CB B:SER673 4.6 57.3 1.0 CG2 B:VAL656 4.6 63.5 1.0 CZ B:TYR695 4.9 55.0 1.0 CD B:GLN675 4.9 71.5 1.0 C05 B:GE91313 4.9 86.9 1.0 N01 B:GE91313 4.9 69.8 1.0 OH B:TYR660 4.9 74.5 1.0 O B:ILE693 4.9 56.8 1.0

Iodine binding site 7 out of 9 in the Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry within 5.0Å range: probe atom residue distance (Å) B Occ C:I1314 b:131.1 occ:1.00 I01 C:GE91314 0.0 131.1 1.0 C02 C:GE91314 2.1 84.4 1.0 C06 C:GE91314 3.0 85.2 1.0 C01 C:GE91314 3.0 81.4 1.0 I03 C:GE91314 3.4 117.5 1.0 OH C:TYR660 3.9 74.5 1.0 CZ C:TYR660 4.3 71.7 1.0 C05 C:GE91314 4.3 86.9 1.0 C03 C:GE91314 4.4 77.7 1.0 CB C:GLN675 4.4 69.6 1.0 CE2 C:TYR660 4.5 68.8 1.0 CG2 C:ILE693 4.8 62.1 1.0 CG C:GLN675 4.8 69.7 1.0 C04 C:GE91314 4.9 80.3 1.0 CG1 C:ILE693 4.9 61.8 1.0 CG1 C:VAL656 4.9 66.7 1.0

Iodine binding site 8 out of 9 in the Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry within 5.0Å range: probe atom residue distance (Å) B Occ C:I1314 b:156.8 occ:1.00 I02 C:GE91314 0.0 156.8 1.0 C05 C:GE91314 2.1 86.9 1.0 C06 C:GE91314 3.0 85.2 1.0 C04 C:GE91314 3.0 80.3 1.0 C02 C:GE91314 4.4 84.4 1.0 C03 C:GE91314 4.4 77.7 1.0 OE1 C:GLN675 4.4 75.3 1.0 C01 C:GE91314 4.9 81.4 1.0

Iodine binding site 9 out of 9 in the Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Sars-Cov-2 Spike with Ethylbenzamide-Tri-Iodo Siallyllactose, C3 Symmetry within 5.0Å range: probe atom residue distance (Å) B Occ C:I1314 b:117.5 occ:1.00 I03 C:GE91314 0.0 117.5 1.0 C01 C:GE91314 2.1 81.4 1.0 C02 C:GE91314 3.0 84.4 1.0 O01 C:GE91314 3.0 68.6 1.0 C03 C:GE91314 3.1 77.7 1.0 I01 C:GE91314 3.4 131.1 1.0 C07 C:GE91314 3.5 71.4 1.0 CE2 C:TYR660 3.6 68.8 1.0 CD2 C:TYR660 3.7 66.1 1.0 CD1 C:TYR695 3.7 54.0 1.0 CG2 C:ILE693 3.8 62.1 1.0 CB C:ILE693 3.8 58.0 1.0 CG C:GLN675 3.9 69.7 1.0 CE1 C:TYR695 3.9 54.4 1.0 C06 C:GE91314 4.3 85.2 1.0 CZ C:TYR660 4.4 71.7 1.0 C04 C:GE91314 4.4 80.3 1.0 CB C:GLN675 4.4 69.6 1.0 CG1 C:ILE693 4.4 61.8 1.0 CG C:TYR660 4.5 66.5 1.0 CG C:TYR695 4.5 54.5 1.0 CB C:SER673 4.6 57.3 1.0 CG2 C:VAL656 4.6 63.5 1.0 CZ C:TYR695 4.9 55.0 1.0 CD C:GLN675 4.9 71.5 1.0 C05 C:GE91314 4.9 86.9 1.0 N01 C:GE91314 4.9 69.8 1.0 OH C:TYR660 4.9 74.5 1.0 O C:ILE693 4.9 56.8 1.0

C.J.Buchanan, B.Gaunt, P.J.Harrison, Y.Yang, J.Liu, A.Khan, A.M.Giltrap, A.Le Bas, P.N.Ward, K.Gupta, M.Dumoux, T.K.Tan, L.Schimaski, S.Daga, N.Picchiotti, M.Baldassarri, E.Benetti, C.Fallerini, F.Fava, A.Giliberti, P.I.Koukos, M.J.Davy, A.Lakshminarayanan, X.Xue, G.Papadakis, L.P.Deimel, V.Casablancas-Antras, T.D.W.Claridge, A.M.J.J.Bonvin, Q.J.Sattentau, S.Furini, M.Gori, J.Huo, R.J.Owens, C.Schaffitzel, I.Berger, A.Renieri, J.H.Naismith, A.J.Baldwin, B.G.Davis. Pathogen-Sugar Interactions Revealed By Universal Saturation Transfer Analysis. Science V. 377 M3125 2022.
ISSN: ESSN 1095-9203
PubMed: 35737812
DOI: 10.1126/SCIENCE.ABM3125