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 [ DOI: doi:10.1038/s41467-024-48921-x Pubmed: 38951531 ]
- Processed angiotensin-converting enzyme 2 (93 kDa, Protein from Homo sapiens)
- Sit1:ace2 complex (340 kDa, Complex from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Sodium- and chloride-dependent transporter xtrp3 (71 kDa, Protein 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 [ DOI: doi:10.1038/s41467-024-48921-x Pubmed: 38951531 ]
- Zinc ion (65 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Sit1:ace2 complex (340 kDa, Complex from Homo sapiens)
- 2-acetamido-2-deoxy-alpha-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)
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 [ DOI: doi:10.1038/s41467-024-48921-x Pubmed: 38951531 ]
- Zinc ion (65 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Sit1:ace2 complex (340 kDa, Complex from Homo sapiens)
- 2-acetamido-2-deoxy-alpha-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)
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 [ DOI: doi:10.1038/s41467-024-48921-x Pubmed: 38951531 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Sit1:ace2 complex (340 kDa, Complex from Homo sapiens)
- (2s)-piperidine-2-carboxylic acid (129 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)
- Chloride ion (35 Da, Ligand)
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 [ DOI: doi:10.1038/s41467-024-48921-x Pubmed: 38951531 ]
- Zinc ion (65 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Sit1:ace2 complex (340 kDa, Complex from Homo sapiens)
- (2s)-piperidine-2-carboxylic acid (129 Da, Ligand)
- 2-acetamido-2-deoxy-alpha-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)
- Chloride ion (35 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 [ DOI: doi:10.1038/s41467-024-48921-x Pubmed: 38951531 ]
- Zinc ion (65 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Sit1:ace2 complex (340 kDa, Complex from Homo sapiens)
- (2s)-piperidine-2-carboxylic acid (129 Da, Ligand)
- 2-acetamido-2-deoxy-alpha-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)
Human GYS1-GYG1 complex inhibited state
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 7q0b
Q-score: 0.569
McCorvie TJ, Loria PM, Tu M, Han S, Shrestha L, Froese DS, Ferreira IM, Berg AP, Yue WW
Nat Struct Mol Biol (2022) 29 pp. 628-638 [ Pubmed: 35835870 DOI: doi:10.1038/s41594-022-00799-3 ]
- Ternary complex of phosphorylated full-length human glycogen synthase 1 in complex with minimum region of human glycogenin-1 (350 kDa, Complex from Homo sapiens)
- Glycogen [starch] synthase, muscle (83 kDa, Protein from Homo sapiens)
- Glycogen [starch] synthase, muscle (83 kDa, Protein from Homo sapiens)
- Glycogenin-1 (39 kDa, Protein from Homo sapiens)
Human GYS1-GYG1 complex inhibited-like state bound to glucose-6-phosphate
Resolution: 4.0 Å
EM Method: Single-particle
Fitted PDBs: 7q0s
Q-score: 0.375
McCorvie TJ, Loria PM, Tu M, Han S, Shrestha L, Froese DS, Ferreira IM, Berg AP, Yue WW
Nat Struct Mol Biol (2022) 29 pp. 628-638 [ Pubmed: 35835870 DOI: doi:10.1038/s41594-022-00799-3 ]
- 6-o-phosphono-alpha-d-glucopyranose (260 Da, Ligand)
- Ternary complex of phosphorylated full-length human glycogen synthase 1 in complex with minimum region of human glycogenin-1 (350 kDa, Complex from Homo sapiens)
- Glycogen [starch] synthase, muscle (83 kDa, Protein from Homo sapiens)
- Glycogenin-1 (39 kDa, Protein from Homo sapiens)
- Glycogen [starch] synthase, muscle (83 kDa, Protein from Homo sapiens)
Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate
Resolution: 3.7 Å
EM Method: Single-particle
Fitted PDBs: 7q12
Q-score: 0.377
McCorvie TJ, Loria PM, Tu M, Han S, Shrestha L, Froese DS, Ferreira IM, Berg AP, Yue WW
Nat Struct Mol Biol (2022) 29 pp. 628-638 [ Pubmed: 35835870 DOI: doi:10.1038/s41594-022-00799-3 ]
- Ternary complex of phosphorylated full-length human glycogen synthase 1 in complex with minimum region of human glycogenin-1 (350 kDa, Complex from Homo sapiens)
- Glycogen [starch] synthase, muscle (83 kDa, Protein from Homo sapiens)
- Glycogenin-1 (39 kDa, Protein from Homo sapiens)
- 6-o-phosphono-alpha-d-glucopyranose (260 Da, Ligand)
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 7q13
Q-score: 0.435
McCorvie TJ, Loria PM, Tu M, Han S, Shrestha L, Froese DS, Ferreira IM, Berg AP, Yue WW
Nat Struct Mol Biol (2022) 29 pp. 628-638 [ Pubmed: 35835870 DOI: doi:10.1038/s41594-022-00799-3 ]
- Uridine-5'-diphosphate (404 Da, Ligand)
- 6-o-phosphono-alpha-d-glucopyranose (260 Da, Ligand)
- Ternary complex of phosphorylated full-length human glycogen synthase 1 in complex with minimum region of human glycogenin-1 (350 kDa, Complex from Homo sapiens)
- Glycogenin-1 (39 kDa, Protein from Homo sapiens)
- Glycogen [starch] synthase, muscle (83 kDa, Protein from Homo sapiens)
- Alpha-d-glucopyranose (180 Da, Ligand)