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

Iodine Binding Sites:

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 7qur

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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 7qur

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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 7qur

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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 7qur

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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 7qur

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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 7qur

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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 7qur

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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 7qur

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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 7qur

Go back to Iodine Binding Sites List in 7qur
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

Reference:

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
Page generated: Wed Apr 5 09:20:59 2023

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