UniProt Q9BYF1
Angiotensin-converting enzyme 2 (Q9BYF1)
Angiotensin-converting enzyme 2 (UniProt Q9BYF1), EC 3.4.-.-, 3.4.17.-: 351 experimental structures and 7 predicted models on GenesisL1, 12 ligands bound, 949 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q9BYF1
- Protein
- Angiotensin-converting enzyme 2
- EC
- 3.4.-.-, 3.4.17.-, 3.4.17.23
- Experimental structures
- 351
- Predicted models
- 7
- Ligands
- 12
- Pockets
- 949 · 168 records with a druggable one
Structures
358 records of Q9BYF1 in the MolNFT archive: 351 experimental, 7 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1R4L | Inhibitor Bound Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2) | x-ray diffraction | A | — | — |
| 1R4L | Inhibitor bound human angiotensin converting enzyme-related carboxypeptidase (ACE2) | x-ray diffraction | A | — | — |
| 2AJF | Structure of SARS coronavirus spike receptor-binding domain complexed with its receptor | x-ray diffraction | A, B | — | — |
| 2AJF | Structure of SARS coronavirus spike receptor-binding domain complexed with its receptor | x-ray diffraction | A, B | — | — |
| 3D0G | Crystal structure of spike protein receptor-binding domain from the 2002-2003 SARS coronavirus… | x-ray diffraction | A, B | — | — |
| 3D0G | Crystal structure of spike protein receptor-binding domain from the 2002-2003 SARS coronavirus… | x-ray diffraction | A, B | — | — |
| 3D0H | Crystal structure of spike protein receptor-binding domain from the 2002-2003 SARS coronavirus… | x-ray diffraction | A, B | — | — |
| 3D0H | Crystal structure of spike protein receptor-binding domain from the 2002-2003 SARS coronavirus… | x-ray diffraction | A, B | — | — |
| 3D0I | Crystal structure of spike protein receptor-binding domain from the 2005-2006 SARS coronavirus… | x-ray diffraction | A, B | — | — |
| 3D0I | Crystal structure of spike protein receptor-binding domain from the 2005-2006 SARS coronavirus… | x-ray diffraction | A, B | — | — |
| 3KBH | Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human… | x-ray diffraction | A, B, C, D | — | — |
| 3KBH | Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human… | x-ray diffraction | A, B, C, D | — | — |
| 3SCL | Crystal structure of spike protein receptor-binding domain from SARS coronavirus epidemic strain… | x-ray diffraction | A, B | — | — |
| 3SCL | Crystal structure of spike protein receptor-binding domain from SARS coronavirus epidemic strain… | x-ray diffraction | A, B | — | — |
| 6ACG | Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-bound… | electron microscopy | D | — | 1 (best 0.80) |
| 6ACG | Trypsin-cleaved and low pH-treated SARS-cov spike glycoprotein and ACE2 complex, ACE2-bound… | electron microscopy | D | — | — |
| 6ACJ | Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-bound… | electron microscopy | D | — | 1 (best 0.79) |
| 6ACJ | Trypsin-cleaved and low pH-treated SARS-cov spike glycoprotein and ACE2 complex, ACE2-bound… | electron microscopy | D | — | — |
| 6ACK | Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-bound… | electron microscopy | D | — | 3 (best 0.71) |
| 6ACK | Trypsin-cleaved and low pH-treated SARS-cov spike glycoprotein and ACE2 complex, ACE2-bound… | electron microscopy | D | — | — |
| 6CS2 | SARS spike glycoprotein - human ACE2 complex, stabilized variant, all ACE2-bound particles | electron microscopy | D | — | — |
| 6LZG | Structure of novel coronavirus spike receptor-binding domain complexed with its receptor ACE2 | x-ray diffraction | A | NAG, ZN | — |
| 6M0J | Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with ACE2 | x-ray diffraction | A | ZN, CL, NAG | 4 (best 0.70) |
| 6M0J | Crystal structure of SARS-cov-2 spike receptor-binding domain bound with ACE2 | x-ray diffraction | A | ZN, CL, NAG | — |
| 6M17 | The 2019-ncov RBD/ACE2-B0AT1 complex | electron microscopy | B, D | NAG, ZN | — |
| 6M18 | ACE2-B0AT1 complex | electron microscopy | B, D | NAG, 3PH, ZN | 14 (best 0.74) |
| 6M18 | ACE2-B0AT1 complex | electron microscopy | B, D | NAG, 3PH, ZN | — |
| 6M1D | ACE2-B0AT1 complex, open conformation | electron microscopy | B, D | — | — |
| 6VW1 | Structure of SARS-cov-2 chimeric receptor-binding domain complexed with its receptor human ACE2 | x-ray diffraction | A, B | NAG, ZN, CL | — |
| 7A91 | Dissociated S1 domain of SARS-CoV-2 Spike bound to ACE2 (Non-Uniform Refinement) | electron microscopy | D | NAG, ZN | — |
| 7A91 | Dissociated S1 domain of SARS-cov-2 spike bound to ACE2 (non-uniform refinement) | electron microscopy | D | NAG, ZN | — |
| 7A92 | Dissociated S1 domain of SARS-CoV-2 Spike bound to ACE2 (Unmasked Refinement) | electron microscopy | D | NAG, ZN | 6 (best 0.70) |
| 7A92 | Dissociated S1 domain of SARS-cov-2 spike bound to ACE2 (unmasked refinement) | electron microscopy | D | NAG, ZN | — |
| 7A94 | SARS-cov-2 spike glycoprotein with 1 ACE2 bound | electron microscopy | D | ZN | — |
| 7A95 | SARS-cov-2 spike glycoprotein with 1 ACE2 bound and 1 rbd erect in clockwise direction | electron microscopy | D | — | — |
| 7A96 | SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound and 1 RBD Erect in Anticlockwise Direction | electron microscopy | D | — | 4 (best 0.72) |
| 7A96 | SARS-cov-2 spike glycoprotein with 1 ACE2 bound and 1 rbd erect in anticlockwise direction | electron microscopy | D | — | — |
| 7A97 | SARS-CoV-2 Spike Glycoprotein with 2 ACE2 Bound | electron microscopy | D, E | — | 6 (best 0.74) |
| 7A97 | SARS-cov-2 spike glycoprotein with 2 ACE2 bound | electron microscopy | D, E | — | — |
| 7A98 | SARS-cov-2 spike glycoprotein with 3 ACE2 bound | electron microscopy | D, E, F | — | — |
| 7BH9 | SARS-CoV-2 RBD-62 in complex with ACE2 peptidase domain | electron microscopy | A | ZN, NAG | 6 (best 0.69) |
| 7BH9 | SARS-cov-2 rbd-62 in complex with ACE2 peptidase domain | electron microscopy | A | ZN, NAG | — |
| 7CT5 | S protein of SARS-CoV-2 in complex bound with T-ACE2 | electron microscopy | D, E, F | NAG | 7 (best 0.77) |
| 7CT5 | S protein of SARS-cov-2 in complex bound with T-ACE2 | electron microscopy | D, E, F | NAG | — |
| 7DDO | Cryo-EM structure of human ACE2 and GD/1/2019 RBD | electron microscopy | A | ZN, NAG | 5 (best 0.73) |
| 7DDO | Cryo-EM structure of human ACE2 and GD/1/2019 rbd | electron microscopy | A | ZN, NAG | — |
| 7DDP | Cryo-EM structure of human ACE2 and GX/P2V/2017 RBD | electron microscopy | A | ZN, NAG | 7 (best 0.70) |
| 7DDP | Cryo-EM structure of human ACE2 and GX/P2V/2017 rbd | electron microscopy | A | ZN, NAG | — |
| 7DF4 | SARS-CoV-2 S-ACE2 complex | electron microscopy | A | — | 2 (best 0.81) |
| 7DF4 | SARS-cov-2 S-ACE2 complex | electron microscopy | A | — | — |
| 7DMU | Structure of SARS-CoV-2 spike receptor-binding domain complexed with high affinity ACE2 mutant 3N39 | x-ray diffraction | A, C | NAG, ZN, SO4 | 7 (best 0.85) |
| 7DMU | Structure of SARS-cov-2 spike receptor-binding domain complexed with high affinity ACE2 mutant 3N39 | x-ray diffraction | A, C | NAG, ZN, SO4 | — |
| 7DQA | Cryo-EM structure of SARS-CoV2 RBD-ACE2 complex | electron microscopy | A | ZN, CL, NAG | 4 (best 0.78) |
| 7DQA | Cryo-EM structure of SARS-COV2 rbd-ACE2 complex | electron microscopy | A | ZN, CL, NAG | — |
| 7DRV | Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2 | x-ray diffraction | A, B | NAG, ZN | 12 (best 0.82) |
| 7DRV | Structural basis of SARS-cov-2-closely-related bat coronavirus RATG13 to HACE2 | x-ray diffraction | A, B | NAG, ZN | — |
| 7DX4 | The structure of FC08 Fab-HA.CE2-rbd complex | electron microscopy | A | NAG | — |
| 7DX5 | S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 2 (1 up RBD and 1 PD bound) | electron microscopy | D | NAG | 2 (best 0.69) |
| 7DX5 | S protein of SARS-cov-2 bound with pd of ACE2 in the conformation 2 (1 up rbd and 1 pd bound) | electron microscopy | D | NAG | — |
| 7DX6 | S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 3 (2 up RBD and 1 PD bound) | electron microscopy | D | NAG | 2 (best 0.65) |
298 records more on the page itself.
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 263 records
- ZN · Zinc ion · in 132 records
- CL · Chloride ion · in 34 records
- BMA · beta-D-mannopyranose · in 12 records
- MAN · alpha-D-mannopyranose · in 12 records
- FUC · alpha-L-fucopyranose · in 8 records
- SO4 · Sulfate ion · in 4 records
- 3PH · 1,2-diacyl-glycerol-3-sn-phosphate · in 3 records
- LFI · 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one · in 3 records
- MG · Magnesium ion · in 2 records
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · in 2 records
- NA · Sodium ion · in 1 record
Experiment against prediction
- 2AJF chain A against the predicted model 3SCJ: TM-score 1.00, RMSD 0.38 Å
- 2AJF chain A against the predicted model 3SCJ: TM-score 1.00, RMSD 0.38 Å
- 2AJF chain A against the predicted model 3SCJ: TM-score 1.00, RMSD 0.38 Å
- 2AJF chain A against the predicted model 3SCJ: TM-score 1.00, RMSD 0.38 Å
- 2AJF chain A against the predicted model 3SCI: TM-score 1.00, RMSD 0.43 Å
- 2AJF chain A against the predicted model 3SCI: TM-score 1.00, RMSD 0.43 Å
- 2AJF chain A against the predicted model 3SCI: TM-score 1.00, RMSD 0.43 Å
- 2AJF chain A against the predicted model 3SCI: TM-score 1.00, RMSD 0.43 Å
- 3SCL chain A against the predicted model 3SCK: TM-score 1.00, RMSD 0.45 Å
- 3SCL chain A against the predicted model 3SCK: TM-score 1.00, RMSD 0.45 Å
Elsewhere
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