UniProt P22557
5-aminolevulinate synthase, erythroid-specific, mitochondrial (P22557)
5-aminolevulinate synthase, erythroid-specific, mitochondrial (UniProt P22557), EC 2.3.1.37: 46 experimental structures and 1 predicted model on GenesisL1, 25 ligands bound, 201 pockets. Binding sites, druggability and experiment…
- UniProt
- P22557
- Protein
- 5-aminolevulinate synthase, erythroid-specific, mitochondrial
- EC
- 2.3.1.37
- Experimental structures
- 46
- Predicted models
- 1
- Ligands
- 25
- Pockets
- 201 · 19 records with a druggable one
Structures
47 records of P22557 in the MolNFT archive: 46 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5QQQ | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434857 | x-ray diffraction | B, A | PLP, NSJ | 12 (best 0.83) |
| 5QQQ | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z2856434857 | x-ray diffraction | B, A | PLP, NSJ | — |
| 5QQR | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1171217421 | x-ray diffraction | B, A | PLP, NSV | 9 (best 0.82) |
| 5QQR | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z1171217421 | x-ray diffraction | B, A | PLP, NSV | — |
| 5QQS | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z275151340 | x-ray diffraction | B, A | PLP, JHP | 10 (best 0.82) |
| 5QQS | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z275151340 | x-ray diffraction | B, A | PLP, JHP | — |
| 5QQT | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z2856434834 | x-ray diffraction | B, A | PLP, NT7 | — |
| 5QQU | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854 | x-ray diffraction | B, A | PLP, NTG | 10 (best 0.82) |
| 5QQU | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z1348371854 | x-ray diffraction | B, A | PLP, NTG | — |
| 5QQV | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1545312521 | x-ray diffraction | B, A | PLP, NTV | 11 (best 0.82) |
| 5QQV | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z1545312521 | x-ray diffraction | B, A | PLP, NTV | — |
| 5QQW | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z136583524 | x-ray diffraction | B, A | PLP, NU4 | 11 (best 0.82) |
| 5QQW | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z136583524 | x-ray diffraction | B, A | PLP, NU4 | — |
| 5QQX | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z373768900 | x-ray diffraction | B, A | PLP, NUA | 11 (best 0.82) |
| 5QQX | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z373768900 | x-ray diffraction | B, A | PLP, NUA | — |
| 5QQY | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434899 | x-ray diffraction | B, A | PLP, NUG | 9 (best 0.82) |
| 5QQY | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z2856434899 | x-ray diffraction | B, A | PLP, NUG | — |
| 5QQZ | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1675346324 | x-ray diffraction | B, A | PLP, NUJ | 11 (best 0.82) |
| 5QQZ | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z1675346324 | x-ray diffraction | B, A | PLP, NUJ | — |
| 5QR0 | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z730649594 | x-ray diffraction | B, A | PLP, NUM | 11 (best 0.82) |
| 5QR0 | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z730649594 | x-ray diffraction | B, A | PLP, NUM | — |
| 5QR1 | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z396380540 | x-ray diffraction | B, A | PLP, HR5 | 9 (best 0.82) |
| 5QR1 | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z396380540 | x-ray diffraction | B, A | PLP, HR5 | — |
| 5QR2 | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854 | x-ray diffraction | B, A | PLP, NTG | 10 (best 0.82) |
| 5QR2 | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z1348371854 | x-ray diffraction | B, A | PLP, NTG | — |
| 5QR3 | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z915492990 | x-ray diffraction | B, A | PLP, JO1 | 11 (best 0.83) |
| 5QR3 | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z915492990 | x-ray diffraction | B, A | PLP, JO1 | — |
| 5QR4 | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434826 | x-ray diffraction | B, A | PLP, NUY | 11 (best 0.83) |
| 5QR4 | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z2856434826 | x-ray diffraction | B, A | PLP, NUY | — |
| 5QR5 | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2241115980 | x-ray diffraction | B, A | PLP, NV7 | 12 (best 0.81) |
| 5QR5 | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z2241115980 | x-ray diffraction | B, A | PLP, NV7 | — |
| 5QR6 | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z44567722 | x-ray diffraction | B, A | PLP, K0V | — |
| 5QR7 | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z57299529 | x-ray diffraction | B, A | PLP, LUY | — |
| 5QR8 | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z57258487 | x-ray diffraction | B, A | PLP, NVD | — |
| 5QR9 | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z31478129 | x-ray diffraction | B, A | PLP, NVJ | — |
| 5QRA | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1101755952 | x-ray diffraction | B, A | PLP, NVM | 10 (best 0.82) |
| 5QRA | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z1101755952 | x-ray diffraction | B, A | PLP, NVM | — |
| 5QRB | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z2856434868 | x-ray diffraction | B, A | PLP, NVY | — |
| 5QRC | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z31721798 | x-ray diffraction | B, A | PLP, NW4 | — |
| 5QRD | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z1328968520 | x-ray diffraction | B, A | PLP, J4Q | — |
| 5QRE | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z117233350 | x-ray diffraction | B, A | PLP, NW7 | 12 (best 0.82) |
| 5QRE | Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with Z117233350 | x-ray diffraction | B, A | PLP, NW7 | — |
| 5QT3 | Ground state model of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 - SGC Diamond… | x-ray diffraction | B, A | PLP | 10 (best 0.82) |
| 5QT3 | Ground state model of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 - sgc diamond… | x-ray diffraction | B, A | PLP | — |
| 6HRH | Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 | x-ray diffraction | B, A | PLP | 11 (best 0.84) |
| 6HRH | Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 | x-ray diffraction | B, A | PLP | — |
| P22557 | AlphaFold monomer V2.0 prediction for 5-aminolevulinate synthase, erythroid-specific, mitochondrial… | predicted | A | — | — |
Ligands
- PLP · Pyridoxal-5'-phosphate · in 46 records
- NTG · 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile · in 4 records
- HR5 · ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide · in 2 records
- JHP · 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide · in 2 records
- JO1 · 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide · in 2 records
- NSJ · 3-[(thiomorpholin-4-yl)methyl]phenol · in 2 records
- NSV · 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine · in 2 records
- NTV · (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide · in 2 records
- NU4 · 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide · in 2 records
- NUA · N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide · in 2 records
- NUG · 1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol · in 2 records
- NUJ · trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol · in 2 records
- NUM · N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide · in 2 records
- NUY · [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone · in 2 records
- NV7 · 1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine · in 2 records
- NVM · [(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone · in 2 records
- NW7 · 3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide · in 2 records
- J4Q · 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole · in 1 record
- K0V · methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate · in 1 record
- LUY · ~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine · in 1 record
- NT7 · N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide · in 1 record
- NVD · N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine · in 1 record
- NVJ · Ethyl benzylcarbamate · in 1 record
- NVY · 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine · in 1 record
- NW4 · 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one · in 1 record
Experiment against prediction
- 5QRD chain B against the predicted model P22557: TM-score 0.94, RMSD 1.27 Å
- 5QR3 chain B against the predicted model P22557: TM-score 0.94, RMSD 1.28 Å
- 5QR3 chain B against the predicted model P22557: TM-score 0.94, RMSD 1.28 Å
- 5QQU chain B against the predicted model P22557: TM-score 0.94, RMSD 1.29 Å
- 5QQU chain B against the predicted model P22557: TM-score 0.94, RMSD 1.29 Å
- 5QRA chain B against the predicted model P22557: TM-score 0.94, RMSD 1.30 Å
- 5QRA chain B against the predicted model P22557: TM-score 0.94, RMSD 1.30 Å
- 5QQW chain B against the predicted model P22557: TM-score 0.94, RMSD 1.29 Å
- 5QQW chain B against the predicted model P22557: TM-score 0.94, RMSD 1.29 Å
- 5QR4 chain B against the predicted model P22557: TM-score 0.94, RMSD 1.29 Å
Elsewhere
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