Cryo-EM structure of ACE2-SIT1 complex with tiagabine
Resolution: 3.34 Å
EM Method: Single-particle
Fitted PDBs: 8wm3
Q-score: 0.366
Broer A, Hu Z, Kukulowicz J, Yadav A, Zhang T, Dai L, Bajda M, Yan R, Broer S
J Biol Chem (2024) 300 pp. 107687-107687 [ DOI: doi:10.1016/j.jbc.2024.107687 Pubmed: 39159813 ]
- Angiotensin-converting enzyme 2 (94 kDa, Protein from Homo sapiens)
- Sodium- and chloride-dependent transporter xtrp3 (68 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Tiagabine (375 Da, Ligand)
- Ace2-sit1 compelx with tiagabine (Complex from Homo sapiens)
Structure of human SIT1 (focussed map / refinement)
Resolution: 3.76 Å
EM Method: Single-particle
Fitted PDBs: 8p2w
Q-score: 0.408
Li HZ, Pike ACW, Lotsaris I, Chi G, Hansen JS, Lee SC, Rodstrom KEJ, Bushell SR, Speedman D, Evans A, Wang D, He D, Shrestha L, Nasrallah C, Burgess-Brown NA, Vandenberg RJ, Dafforn TR, Carpenter EP, Sauer DB
Nat Commun (2024) 15 pp. 5503-5503 [ Pubmed: 38951531 DOI: doi:10.1038/s41467-024-48921-x ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Processed angiotensin-converting enzyme 2 (93 kDa, Protein from Homo sapiens)
- Sodium- and chloride-dependent transporter xtrp3 (71 kDa, Protein from Homo sapiens)
- Sit1:ace2 complex (340 kDa, Complex from Homo sapiens)
Structure of human SIT1:ACE2 complex (open PD conformation)
Resolution: 3.59 Å
EM Method: Single-particle
Fitted PDBs: 8p2x
Q-score: 0.361
Li HZ, Pike ACW, Lotsaris I, Chi G, Hansen JS, Lee SC, Rodstrom KEJ, Bushell SR, Speedman D, Evans A, Wang D, He D, Shrestha L, Nasrallah C, Burgess-Brown NA, Vandenberg RJ, Dafforn TR, Carpenter EP, Sauer DB
Nat Commun (2024) 15 pp. 5503-5503 [ Pubmed: 38951531 DOI: doi:10.1038/s41467-024-48921-x ]
- Sodium- and chloride-dependent transporter xtrp3 (71 kDa, Protein from Homo sapiens)
- Sit1:ace2 complex (340 kDa, Complex from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Processed angiotensin-converting enzyme 2 (93 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-alpha-d-glucopyranose (221 Da, Ligand)
Structure of human SIT1:ACE2 complex (closed PD conformation)
Resolution: 3.46 Å
EM Method: Single-particle
Fitted PDBs: 8p2y
Q-score: 0.368
Li HZ, Pike ACW, Lotsaris I, Chi G, Hansen JS, Lee SC, Rodstrom KEJ, Bushell SR, Speedman D, Evans A, Wang D, He D, Shrestha L, Nasrallah C, Burgess-Brown NA, Vandenberg RJ, Dafforn TR, Carpenter EP, Sauer DB
Nat Commun (2024) 15 pp. 5503-5503 [ Pubmed: 38951531 DOI: doi:10.1038/s41467-024-48921-x ]
- Sodium- and chloride-dependent transporter xtrp3 (71 kDa, Protein from Homo sapiens)
- Sit1:ace2 complex (340 kDa, Complex from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Processed angiotensin-converting enzyme 2 (93 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-alpha-d-glucopyranose (221 Da, Ligand)
- Zinc ion (65 Da, Ligand)
Structure of human SIT1 bound to L-pipecolate (focussed map / refinement)
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 8p2z
Q-score: 0.481
Li HZ, Pike ACW, Lotsaris I, Chi G, Hansen JS, Lee SC, Rodstrom KEJ, Bushell SR, Speedman D, Evans A, Wang D, He D, Shrestha L, Nasrallah C, Burgess-Brown NA, Vandenberg RJ, Dafforn TR, Carpenter EP, Sauer DB
Nat Commun (2024) 15 pp. 5503-5503 [ Pubmed: 38951531 DOI: doi:10.1038/s41467-024-48921-x ]
- Chloride ion (35 Da, Ligand)
- Sodium- and chloride-dependent transporter xtrp3 (71 kDa, Protein from Homo sapiens)
- Sit1:ace2 complex (340 kDa, Complex from Homo sapiens)
- (2s)-piperidine-2-carboxylic acid (129 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Processed angiotensin-converting enzyme 2 (93 kDa, Protein from Homo sapiens)
Structure of human SIT1:ACE2 complex (open PD conformation) bound to L-pipecolate
Resolution: 3.29 Å
EM Method: Single-particle
Fitted PDBs: 8p30
Q-score: 0.414
Li HZ, Pike ACW, Lotsaris I, Chi G, Hansen JS, Lee SC, Rodstrom KEJ, Bushell SR, Speedman D, Evans A, Wang D, He D, Shrestha L, Nasrallah C, Burgess-Brown NA, Vandenberg RJ, Dafforn TR, Carpenter EP, Sauer DB
Nat Commun (2024) 15 pp. 5503-5503 [ Pubmed: 38951531 DOI: doi:10.1038/s41467-024-48921-x ]
- Chloride ion (35 Da, Ligand)
- Sodium- and chloride-dependent transporter xtrp3 (71 kDa, Protein from Homo sapiens)
- Sit1:ace2 complex (340 kDa, Complex from Homo sapiens)
- (2s)-piperidine-2-carboxylic acid (129 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Processed angiotensin-converting enzyme 2 (93 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-alpha-d-glucopyranose (221 Da, Ligand)
- Zinc ion (65 Da, Ligand)
Structure of human SIT1:ACE2 complex (closed PD conformation) bound to L-pipecolate
Resolution: 3.24 Å
EM Method: Single-particle
Fitted PDBs: 8p31
Q-score: 0.415
Li HZ, Pike ACW, Lotsaris I, Chi G, Hansen JS, Lee SC, Rodstrom KEJ, Bushell SR, Speedman D, Evans A, Wang D, He D, Shrestha L, Nasrallah C, Burgess-Brown NA, Vandenberg RJ, Dafforn TR, Carpenter EP, Sauer DB
Nat Commun (2024) 15 pp. 5503-5503 [ Pubmed: 38951531 DOI: doi:10.1038/s41467-024-48921-x ]
- Sodium- and chloride-dependent transporter xtrp3 (71 kDa, Protein from Homo sapiens)
- Sit1:ace2 complex (340 kDa, Complex from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- (2s)-piperidine-2-carboxylic acid (129 Da, Ligand)
- Processed angiotensin-converting enzyme 2 (93 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-alpha-d-glucopyranose (221 Da, Ligand)
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 7y75
Q-score: 0.488
Shen Y, Wang J, Li Y, Zhang Y, Tian R, Yan R
Cell Discov (2022) 8 pp. 123-123 [ DOI: doi:10.1038/s41421-022-00488-x Pubmed: 36384914 ]
- Rbd of ba.2 spike (Complex)
- Sodium- and chloride-dependent transporter xtrp3 (68 kDa, Protein from Homo sapiens)
- Sit1-ace2-ba.2 rbd complex (Complex from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- Sit1 (Complex from Homo sapiens)
- Ace2 fl (Complex from Severe acute respiratory syndrome coronavirus 2)
- Spike protein s1 (28 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Angiotensin-converting enzyme 2 (95 kDa, Protein from Homo sapiens)
- 1,2-diacyl-glycerol-3-sn-phosphate (704 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)