Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state
Resolution: 3.06 Å
EM Method: Single-particle
Fitted PDBs: 8h3e
Q-score: 0.57
Wang Q, Meng F, Xie Y, Wang W, Meng Y, Li L, Liu T, Qi J, Ni X, Zheng S, Huang J, Huang N
ACS Cent Sci (2023) 9 pp. 252-265 [ DOI: doi:10.1021/acscentsci.2c01190 Pubmed: 36844485 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid (306 Da, Ligand)
- Spike glycoprotein,fibritin (141 kDa, Protein from Tequatrovirus T4)
- Complex of sars-cov-2 spike protein and a small molecule (spc-14) (Complex from Severe acute respiratory syndrome coronavirus 2)
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 7xtz
Q-score: 0.588
Qu K, Chen Q, Ciazynska KA, Liu B, Zhang X, Wang J, He Y, Guan J, He J, Liu T, Zhang X, Carter AP, Xiong X, Briggs JAG
PLoS Pathog (2022) 18 pp. e1010583-e1010583 [ Pubmed: 35905112 DOI: doi:10.1371/journal.ppat.1010583 ]
- Biliverdine ix alpha (582 Da, Ligand)
- Linoleic acid (280 Da, Ligand)
- Spike glycoprotein (124 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Severe acute respiratory syndrome coronavirus 2 spike protein (Complex from Severe acute respiratory syndrome coronavirus 2)
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 7xu0
Q-score: 0.569
Qu K, Chen Q, Ciazynska KA, Liu B, Zhang X, Wang J, He Y, Guan J, He J, Liu T, Zhang X, Carter AP, Xiong X, Briggs JAG
PLoS Pathog (2022) 18 pp. e1010583-e1010583 [ Pubmed: 35905112 DOI: doi:10.1371/journal.ppat.1010583 ]
- Biliverdine ix alpha (582 Da, Ligand)
- Linoleic acid (280 Da, Ligand)
- Spike glycoprotein (124 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Severe acute respiratory syndrome coronavirus 2 spike protein (Complex from Severe acute respiratory syndrome coronavirus 2)
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 7xu1
Q-score: 0.548
Qu K, Chen Q, Ciazynska KA, Liu B, Zhang X, Wang J, He Y, Guan J, He J, Liu T, Zhang X, Carter AP, Xiong X, Briggs JAG
PLoS Pathog (2022) 18 pp. e1010583-e1010583 [ Pubmed: 35905112 DOI: doi:10.1371/journal.ppat.1010583 ]
- Biliverdine ix alpha (582 Da, Ligand)
- Linoleic acid (280 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Spike glycoprotein (138 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Severe acute respiratory syndrome coronavirus 2 spike protein (Complex from Severe acute respiratory syndrome coronavirus 2)
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 7xu2
Q-score: 0.523
Qu K, Chen Q, Ciazynska KA, Liu B, Zhang X, Wang J, He Y, Guan J, He J, Liu T, Zhang X, Carter AP, Xiong X, Briggs JAG
PLoS Pathog (2022) 18 pp. e1010583-e1010583 [ Pubmed: 35905112 DOI: doi:10.1371/journal.ppat.1010583 ]
- Biliverdine ix alpha (582 Da, Ligand)
- Linoleic acid (280 Da, Ligand)
- Spike glycoprotein (124 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Severe acute respiratory syndrome coronavirus 2 spike protein (Complex from Severe acute respiratory syndrome coronavirus 2)
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 7xu3
Q-score: 0.484
Qu K, Chen Q, Ciazynska KA, Liu B, Zhang X, Wang J, He Y, Guan J, He J, Liu T, Zhang X, Carter AP, Xiong X, Briggs JAG
PLoS Pathog (2022) 18 pp. e1010583-e1010583 [ Pubmed: 35905112 DOI: doi:10.1371/journal.ppat.1010583 ]
- Biliverdine ix alpha (582 Da, Ligand)
- Spike glycoprotein (124 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Severe acute respiratory syndrome coronavirus 2 spike protein (Complex from Severe acute respiratory syndrome coronavirus 2)
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 7xu4
Q-score: 0.511
Qu K, Chen Q, Ciazynska KA, Liu B, Zhang X, Wang J, He Y, Guan J, He J, Liu T, Zhang X, Carter AP, Xiong X, Briggs JAG
PLoS Pathog (2022) 18 pp. e1010583-e1010583 [ Pubmed: 35905112 DOI: doi:10.1371/journal.ppat.1010583 ]
- Biliverdine ix alpha (582 Da, Ligand)
- Linoleic acid (280 Da, Ligand)
- Spike glycoprotein (124 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Severe acute respiratory syndrome coronavirus 2 spike protein (Complex from Severe acute respiratory syndrome coronavirus 2)