Structure of ACLY-D1026A-substrates
Resolution: 2.2 Å
EM Method: Single-particle
Fitted PDBs: 7rig
Q-score: 0.588
Wei X, Schultz K, Pepper HL, Megill E, Vogt A, Snyder NW, Marmorstein R
Nat Commun (2023) 14 pp. 2247-2247 [ Pubmed: 37076498 DOI: doi:10.1038/s41467-023-37986-9 ]
- Phosphate ion (94 Da, Ligand)
- Citrate anion (189 Da, Ligand)
- Water (18 Da, Ligand)
- Unknown ligand (189 Da, Ligand)
- Coenzyme a (767 Da, Ligand)
- (3s)-citryl-coenzyme a (941 Da, Ligand)
- Atp-citrate synthase (120 kDa, Protein from Homo sapiens)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Acly d1026a mutant in complex with coa and citrate (480 kDa, Complex from Homo sapiens)
Structure of ACLY D1026A-substrates-asym-int
Resolution: 2.6 Å
EM Method: Single-particle
Fitted PDBs: 7rkz
Q-score: 0.412
Wei X, Schultz K, Pepper HL, Megill E, Vogt A, Snyder NW, Marmorstein R
Nat Commun (2023) 14 pp. 2247-2247 [ Pubmed: 37076498 DOI: doi:10.1038/s41467-023-37986-9 ]
- Citrate anion (189 Da, Ligand)
- Water (18 Da, Ligand)
- Unknown ligand (767 Da, Ligand)
- Coenzyme a (767 Da, Ligand)
- (3s)-citryl-coenzyme a (941 Da, Ligand)
- Atp-citrate synthase (120 kDa, Protein from Homo sapiens)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Acly d1026a mutant in complex with coa and citrate (480 kDa, Complex from Homo sapiens)
Structure of ACLY D1026A - substrates-asym
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 7rmp
Q-score: 0.427
Wei X, Schultz K, Pepper HL, Megill E, Vogt A, Snyder NW, Marmorstein R
Nat Commun (2023) 14 pp. 2247-2247 [ Pubmed: 37076498 DOI: doi:10.1038/s41467-023-37986-9 ]
- Phosphate ion (94 Da, Ligand)
- Citrate anion (189 Da, Ligand)
- Water (18 Da, Ligand)
- Unknown ligand (767 Da, Ligand)
- Coenzyme a (767 Da, Ligand)
- (3s)-citryl-coenzyme a (941 Da, Ligand)
- Atp-citrate synthase (120 kDa, Protein from Homo sapiens)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Acly d1026a mutant in complex with coa and citrate (480 kDa, Complex from Homo sapiens)
Structure of ACLY-D1026A-products-asym
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8g1e
Q-score: 0.424
Wei X, Schultz K, Pepper HL, Megill E, Vogt A, Snyder NW, Marmorstein R
Nat Commun (2023) 14 pp. 2247-2247 [ Pubmed: 37076498 DOI: doi:10.1038/s41467-023-37986-9 ]
- Phosphate ion (94 Da, Ligand)
- Water (18 Da, Ligand)
- (3s)-citryl-coenzyme a (941 Da, Ligand)
- Atp-citrate synthase (120 kDa, Protein from Homo sapiens)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Acetyl coenzyme *a (809 Da, Ligand)
- Acly d1026a mutant in complex with coa and citrate (480 kDa, Complex from Homo sapiens)
- Oxaloacetate ion (131 Da, Ligand)
- Unknown ligand (Ligand)
Structure of ACLY-D1026A-products
Resolution: 2.4 Å
EM Method: Single-particle
Fitted PDBs: 8g1f
Q-score: 0.581
Wei X, Schultz K, Pepper HL, Megill E, Vogt A, Snyder NW, Marmorstein R
Nat Commun (2023) 14 pp. 2247-2247 [ Pubmed: 37076498 DOI: doi:10.1038/s41467-023-37986-9 ]
- Phosphate ion (94 Da, Ligand)
- Water (18 Da, Ligand)
- (3s)-citryl-coenzyme a (941 Da, Ligand)
- Atp-citrate synthase (120 kDa, Protein from Homo sapiens)
- Acly d1026a mutant in complex with products (480 kDa, Complex from Homo sapiens)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Acetyl coenzyme *a (809 Da, Ligand)
- Oxaloacetate ion (131 Da, Ligand)
- Unknown ligand (Ligand)
Structure of ACLY-D1026A-substrates, local refinement of ASH domain
Resolution: 2.2 Å
EM Method: Single-particle
Fitted PDBs: 8g5c
Q-score: 0.635
Wei X, Schultz K, Pepper HL, Megill E, Vogt A, Snyder NW, Marmorstein R
Nat Commun (2023) 14 pp. 2247-2247 [ Pubmed: 37076498 DOI: doi:10.1038/s41467-023-37986-9 ]
- Phosphate ion (94 Da, Ligand)
- Citrate anion (189 Da, Ligand)
- Water (18 Da, Ligand)
- Coenzyme a (767 Da, Ligand)
- (3s)-citryl-coenzyme a (941 Da, Ligand)
- Atp-citrate synthase (120 kDa, Protein from Homo sapiens)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Acly d1026a mutant in complex with coa and citrate (480 kDa, Complex from Homo sapiens)
Structure of ACLY-D1026A-products, local refinement of ASH domain
Resolution: 2.5 Å
EM Method: Single-particle
Fitted PDBs: 8g5d
Q-score: 0.631
Wei X, Schultz K, Pepper HL, Megill E, Vogt A, Snyder NW, Marmorstein R
Nat Commun (2023) 14 pp. 2247-2247 [ Pubmed: 37076498 DOI: doi:10.1038/s41467-023-37986-9 ]
- Phosphate ion (94 Da, Ligand)
- Acly d1026a mutant in complex with acetyl-coa and oaa (480 kDa, Complex from Homo sapiens)
- Water (18 Da, Ligand)
- (3s)-citryl-coenzyme a (941 Da, Ligand)
- Atp-citrate synthase (120 kDa, Protein from Homo sapiens)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Acetyl coenzyme *a (809 Da, Ligand)
- Oxaloacetate ion (131 Da, Ligand)