UniProt P49327
Fatty acid synthase (P49327)
Fatty acid synthase (UniProt P49327), EC 1.1.1.100, 1.3.1.39: 31 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound, 67 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P49327
- Protein
- Fatty acid synthase
- EC
- 1.1.1.100, 1.3.1.39, 2.3.1.38, 2.3.1.39, 2.3.1.41, 2.3.1.85, 3.1.2.14, 4.2.1.59
- Experimental structures
- 31
- Predicted models
- 1
- Ligands
- 8
- Pockets
- 67 · 6 records with a druggable one
Structures
32 records of P49327 in the MolNFT archive: 31 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1XKT | Human fatty acid synthase: Structure and substrate selectivity of the thioesterase domain | x-ray diffraction | A, B | — | — |
| 1XKT | Human fatty acid synthase: structure and substrate selectivity of the thioesterase domain | x-ray diffraction | A, B | — | — |
| 2CG5 | Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase in complex… | x-ray diffraction | B | — | — |
| 2CG5 | Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase in complex… | x-ray diffraction | B | — | — |
| 2JFD | Structure of the MAT domain of human FAS | x-ray diffraction | A, B, C, D | — | — |
| 2JFD | Structure of the mat domain of human fas | x-ray diffraction | A, B, C, D | — | — |
| 2JFK | Structure of the MAT domain of human FAS with malonyl-CoA | x-ray diffraction | A, B, C, D | — | — |
| 2JFK | Structure of the mat domain of human fas with malonyl-CoA | x-ray diffraction | A, B, C, D | — | — |
| 2PX6 | Crystal structure of the thioesterase domain of human fatty acid synthase inhibited by Orlistat | x-ray diffraction | A, B | — | — |
| 2PX6 | Crystal structure of the thioesterase domain of human fatty acid synthase inhibited by orlistat | x-ray diffraction | A, B | — | — |
| 3HHD | Structure of the Human Fatty Acid Synthase KS-MAT Didomain as a Framework for Inhibitor Design. | x-ray diffraction | A, B, C, D | — | — |
| 3HHD | Structure of the human fatty acid synthase ks-mat didomain as a framework for inhibitor design. | x-ray diffraction | A, B, C, D | — | — |
| 3TJM | Crystal Structure of the Human Fatty Acid Synthase Thioesterase Domain with an Activate… | x-ray diffraction | A | — | — |
| 3TJM | Crystal structure of the human fatty acid synthase thioesterase domain with an activate… | x-ray diffraction | A | — | — |
| 4PIV | Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and GSK2194069 | x-ray diffraction | A, B | — | — |
| 4PIV | Human fatty acid synthase PSI/KR tri-domain with NADPH and GSK2194069 | x-ray diffraction | A, B | — | — |
| 4W82 | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase | x-ray diffraction | A, B | — | — |
| 4W82 | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase | x-ray diffraction | A, B | — | — |
| 4W9N | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase complexed with triclosan | x-ray diffraction | A, B, C, D | — | — |
| 4W9N | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase complexed with triclosan | x-ray diffraction | A, B, C, D | — | — |
| 4Z49 | Homo Sapiens Fatty Acid Synthetase, Thioesterase Domain at 1.7 Angstroms Resolution | x-ray diffraction | A, B | — | — |
| 4Z49 | Homo sapiens fatty acid synthetase, thioesterase domain at 1.7 ångströms resolution | x-ray diffraction | A, B | — | — |
| 5C37 | Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a… | x-ray diffraction | A, C | NDP, 4XN, CL | 16 (best 0.85) |
| 5C37 | Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a… | x-ray diffraction | A, C | — | — |
| 6NNA | Human fatty acid synthase PSI/KR tri-domain with NADPH and compound 22 | x-ray diffraction | A, B | NDP, KUA | — |
| 7MHD | Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635 | x-ray diffraction | A | ZEP | 1 (best 0.72) |
| 7MHD | Thioesterase domain of human fatty acid synthase (fasn-te) binding a competitive inhibitor sbp-7635 | x-ray diffraction | A | ZEP | — |
| 7MHE | Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7957 | x-ray diffraction | AAA | ZEG | 1 (best 0.74) |
| 8EYK | Atomic model of the core modifying region of human fatty acid synthase in complex with TVB-2640 | electron microscopy | E, F | X5O, NDP | 20 (best 0.82) |
| 8G7X | Human fatty acid synthase dehydratase domain | x-ray diffraction | A, B | SCN | 9 (best 0.83) |
| 8GKC | Atomic model of the core modifying region of human fatty acid synthase in complex with TVB-2640… | electron microscopy | A, D | X5O, NDP | 20 (best 0.82) |
| P49327 | AlphaFold monomer V2.0 prediction for fatty acid synthase (P49327) | predicted | A | — | — |
Ligands
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · in 4 records
- X5O · denifanstat · in 2 records
- ZEP · N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide · in 2 records
- 4XN · 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one · in 1 record
- CL · Chloride ion · in 1 record
- KUA · {4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl) methanone · in 1 record
- SCN · Thiocyanate ion · in 1 record
- ZEG · 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine · in 1 record
Experiment against prediction
- 3HHD chain B against the predicted model P49327: TM-score 0.99, RMSD 1.03 Å
- 3HHD chain B against the predicted model P49327: TM-score 0.99, RMSD 1.03 Å
- 3HHD chain A against the predicted model P49327: TM-score 0.99, RMSD 1.07 Å
- 3HHD chain A against the predicted model P49327: TM-score 0.99, RMSD 1.07 Å
- 2JFK chain A against the predicted model P49327: TM-score 0.99, RMSD 0.78 Å
- 2JFK chain A against the predicted model P49327: TM-score 0.99, RMSD 0.78 Å
- 2JFD chain A against the predicted model P49327: TM-score 0.99, RMSD 0.79 Å
- 2JFD chain A against the predicted model P49327: TM-score 0.99, RMSD 0.79 Å
- 6NNA chain B against the predicted model P49327: TM-score 0.99, RMSD 0.99 Å
- 6NNA chain A against the predicted model P49327: TM-score 0.99, RMSD 1.04 Å
Elsewhere
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