UniProt P53396
ATP-citrate synthase (P53396)
ATP-citrate synthase (UniProt P53396), EC 2.3.3.8: 52 experimental structures and 1 predicted model on GenesisL1, 18 ligands bound, 239 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P53396
- Protein
- ATP-citrate synthase
- EC
- 2.3.3.8
- Experimental structures
- 52
- Predicted models
- 1
- Ligands
- 18
- Pockets
- 239 · 14 records with a druggable one
Structures
53 records of P53396 in the MolNFT archive: 52 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3MWD | Truncated Human ATP-Citrate Lyase with Citrate Bound | x-ray diffraction | A, B | — | — |
| 3MWD | Truncated human ATP-citrate lyase with citrate bound | x-ray diffraction | A, B | — | — |
| 3MWE | Truncated Human ATP-Citrate Lyase with Tartrate Bound | x-ray diffraction | A, B | — | — |
| 3MWE | Truncated human ATP-citrate lyase with tartrate bound | x-ray diffraction | A, B | — | — |
| 3PFF | Truncated human atp-citrate lyase with ADP and tartrate bound | x-ray diffraction | A | — | — |
| 3PFF | Truncated human ATP-citrate lyase with ADP and tartrate bound | x-ray diffraction | A | — | — |
| 5TDE | Tev cleaved human ATP citrate lyase bound to citrate | x-ray diffraction | A, B | 2HP, NA | — |
| 5TDF | TEV Cleaved Human ATP Citrate Lyase Bound to 4S hydroxycitrate | x-ray diffraction | A, B | 7A3, ADP, MG, ADE | 7 (best 0.82) |
| 5TDF | Tev cleaved human ATP citrate lyase bound to 4S hydroxycitrate | x-ray diffraction | A, B | 7A3, ADP, MG, ADE | — |
| 5TDM | Tev cleaved human ATP citrate lyase bound to 4R-hydroxycitrate and ADP | x-ray diffraction | A, B | 7A2, ADP, MG, ADN | — |
| 5TDZ | TEV Cleaved Human ATP Citrate Lyase Bound to Tartrate and ADP | x-ray diffraction | A, B | ADP, MG, PO4, ADN | 7 (best 0.80) |
| 5TDZ | Tev cleaved human ATP citrate lyase bound to tartrate and ADP | x-ray diffraction | A, B | ADP, MG, PO4, ADN | — |
| 5TE1 | C20S, C293G mutant N-terminal human ATP citrate lyase bound to 4R- hydroxycitrate | x-ray diffraction | A, B | 7A2, PO4, NA | — |
| 5TEQ | C20S C293G mutant N-terminal human ATP citrate lyase bound to citrate | x-ray diffraction | A, B | PO4, NA | — |
| 5TES | TEV Cleaved Human ATP Citrate Lyase Bound to Citrate and ADP | x-ray diffraction | A, B | MG, ADP | 8 (best 0.81) |
| 5TES | Tev cleaved human ATP citrate lyase bound to citrate and ADP | x-ray diffraction | A, B | MG, ADP | — |
| 5TET | Tev cleaved human ATP citrate lyase bound to 4S hydroxycitrate | x-ray diffraction | A, B | 7A3, PO4 | — |
| 6HXH | Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme A and Mg.ADP | x-ray diffraction | A, B, C, D, E, F, G, H | MG, PO4, COA, ADP | — |
| 6HXH | Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme a and MG.ADP | x-ray diffraction | A, B, C, D, E, F, G, H | MG, PO4, COA, ADP | — |
| 6HXK | Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate | x-ray diffraction | A, B, C, D | — | — |
| 6HXK | Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate | x-ray diffraction | A, B, C, D | — | — |
| 6HXL | Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate… | x-ray diffraction | A, B, C, D, E, F, G, H | COA, SO4, CAO | — |
| 6HXL | Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate… | x-ray diffraction | A, B, C, D, E, F, G, H | COA, SO4, CAO | — |
| 6HXM | Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate… | x-ray diffraction | A, B | COA | — |
| 6HXM | Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate… | x-ray diffraction | A, B | COA | — |
| 6O0H | Cryo-EM structure of human ATP-citrate lyase in complex with inhibitor NDI-091143 | electron microscopy | A, B, C, D | LBG, ADP | — |
| 6O0H | Cryo-EM structure of human ATP-citrate lyase in complex with inhibitor ndi-091143 | electron microscopy | A, B, C, D | LBG, ADP | — |
| 6POE | Structure of ACLY in complex with CoA | electron microscopy | A, B, C, D | COA | — |
| 6POE | Structure of acly in complex with CoA | electron microscopy | A, B, C, D | COA | — |
| 6POF | Structure of human ATP citrate lyase | electron microscopy | A, B, C, D | — | 20 (best 0.75) |
| 6POF | Structure of human ATP citrate lyase | electron microscopy | A, B, C, D | — | — |
| 6QFB | Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme a and MG.ADP | x-ray diffraction | A, B, C, D | 2HP, COA, ADP, MG | — |
| 6UI9 | Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate | electron microscopy | A, B, C, D | ACO, OAA | — |
| 6UIA | Structure of ATP citrate lyase with CoA in a partially open conformation | electron microscopy | C, D, A, B | COA | — |
| 6UUW | Structure of human ATP citrate lyase E599Q mutant in complex with Mg2+, citrate, ATP and CoA | electron microscopy | A, B, C, D | ADP, COA, Y2A, UNL | 20 (best 0.83) |
| 6UUW | Structure of human ATP citrate lyase E599Q mutant in complex with MG2+, citrate, ATP and CoA | electron microscopy | A, B, C, D | ADP, COA, Y2A | — |
| 6UUZ | Structure of ACLY in the presence of citrate and CoA | electron microscopy | A, B, C, D | COA | 20 (best 0.74) |
| 6UUZ | Structure of acly in the presence of citrate and CoA | electron microscopy | A, B, C, D | COA | — |
| 6UV5 | Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate | electron microscopy | A, B, C, D | ACO, OAA | 20 (best 0.75) |
| 6UV5 | Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate | electron microscopy | A, B, C, D | ACO, OAA | — |
| 6Z2H | Citryl-CoA lyase module of human ATP citrate lyase in complex with (3S)-citryl-CoA. | x-ray diffraction | A, B, C, D | Q5B, OAA, ACO | — |
| 7LIW | Local refinement of human ATP citrate lyase E599Q mutant ash domain | electron microscopy | A, B, C, D | ADP, COA, Y2A | — |
| 7LJ9 | Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate | electron microscopy | A, B, C, D | OAA, ACO | — |
| 7LLA | Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate (EM map was… | electron microscopy | A, B, C, D | ACO, OAA | — |
| 7LLA | Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate (EM MAP was… | electron microscopy | A, B, C, D | ACO, OAA | — |
| 7RIG | Structure of ACLY-D1026A-substrates | electron microscopy | A, B, C, D | ADP, Q5B, UNL, COA, PO4 | 20 (best 0.83) |
| 7RKZ | Structure of ACLY D1026A-substrates-asym-int | electron microscopy | A, B, C, D | ADP, Q5B, UNL, COA | 20 (best 0.84) |
| 7RMP | Structure of ACLY D1026A - substrates-asym | electron microscopy | A, B, C, D | ADP, Q5B, UNL, COA, PO4 | 20 (best 0.83) |
| 8G1E | Structure of ACLY-D1026A-products-asym | electron microscopy | A, B, C, D | ACO, OAA, UNL, Q5B, PO4, ADP | 20 (best 0.85) |
| 8G1F | Structure of ACLY-D1026A-products | electron microscopy | A, B, C, D | ADP, Q5B, ACO, OAA, PO4 | 20 (best 0.85) |
| 8G5C | Structure of ACLY-D1026A-substrates, local refinement of ASH domain | electron microscopy | A, B, C, D | ADP, COA, PO4, Q5B | 20 (best 0.81) |
| 8G5D | Structure of ACLY-D1026A-products, local refinement of ASH domain | electron microscopy | A, B, C, D | ACO, OAA, Q5B, ADP, PO4 | 17 (best 0.84) |
| P53396 | AlphaFold monomer V2.0 prediction for ATP-citrate synthase (P53396) | predicted | A | — | — |
Ligands
- ADP · Adenosine-5'-diphosphate · in 22 records
- COA · Coenzyme A · in 19 records
- PO4 · Phosphate ion · in 13 records
- ACO · Acetyl coenzyme *A · in 10 records
- MG · Magnesium ion · in 10 records
- OAA · Oxaloacetate ion · in 10 records
- Q5B · (3S)-citryl-Coenzyme A · in 8 records
- UNL · Unknown ligand · in 5 records
- 7A3 · 3-C-carboxy-2-deoxy-D-erythro-pentaric acid · in 3 records
- ADN · Adenosine · in 3 records
- NA · Sodium ion · in 3 records
- Y2A · (2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy) ethyl]butanedioic acid · in 3 records
- 2HP · Dihydrogenphosphate ion · in 2 records
- 7A2 · 3-C-carboxy-2-deoxy-L-threo-pentaric acid · in 2 records
- ADE · Adenine · in 2 records
- CAO · Oxidized coenzyme A · in 2 records
- LBG · Methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl) sulfamoyl]-4-hydroxybenzoate · in 2 records
- SO4 · Sulfate ion · in 2 records
Experiment against prediction
- 5TDF chain B against the predicted model P53396: TM-score 1.00, RMSD 0.38 Å
- 5TDF chain B against the predicted model P53396: TM-score 1.00, RMSD 0.38 Å
- 5TET chain B against the predicted model P53396: TM-score 1.00, RMSD 0.41 Å
- 5TDM chain B against the predicted model P53396: TM-score 1.00, RMSD 0.40 Å
- 5TDE chain B against the predicted model P53396: TM-score 1.00, RMSD 0.41 Å
- 5TDZ chain B against the predicted model P53396: TM-score 1.00, RMSD 0.43 Å
- 5TDZ chain B against the predicted model P53396: TM-score 1.00, RMSD 0.43 Å
- 5TES chain B against the predicted model P53396: TM-score 1.00, RMSD 0.43 Å
- 5TES chain B against the predicted model P53396: TM-score 1.00, RMSD 0.43 Å
- 6HXH chain B against the predicted model P53396: TM-score 1.00, RMSD 0.72 Å
Elsewhere
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