UniProt P14902
Indoleamine 2,3-dioxygenase 1 (P14902)
Indoleamine 2,3-dioxygenase 1 (UniProt P14902), EC 1.13.11.52: 92 experimental structures and 1 predicted model on GenesisL1, 54 ligands bound, 55 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- P14902
- Protein
- Indoleamine 2,3-dioxygenase 1
- EC
- 1.13.11.52
- Experimental structures
- 92
- Predicted models
- 1
- Ligands
- 54
- Pockets
- 55 · 6 records with a druggable one
Structures
93 records of P14902 in the MolNFT archive: 92 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2D0T | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase | x-ray diffraction | A, B | — | — |
| 2D0T | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase | x-ray diffraction | A, B | — | — |
| 2D0U | Crystal structure of cyanide bound form of human indoleamine 2,3-dioxygenase | x-ray diffraction | A, B | — | — |
| 2D0U | Crystal structure of cyanide bound form of human indoleamine 2,3- dioxygenase | x-ray diffraction | A, B | — | — |
| 4PK5 | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with Amg-1 | x-ray diffraction | A, B | — | — |
| 4PK5 | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with amg-1 | x-ray diffraction | A, B | — | — |
| 4PK6 | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with imidazothiazole… | x-ray diffraction | A, B | — | — |
| 4PK6 | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with imidazothiazole… | x-ray diffraction | A, B | — | — |
| 4U72 | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (A260G… | x-ray diffraction | A, B | — | — |
| 4U72 | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (A260G… | x-ray diffraction | A, B | — | — |
| 4U74 | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (G262A… | x-ray diffraction | A, B | — | — |
| 4U74 | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (G262A… | x-ray diffraction | A, B | — | — |
| 5EK2 | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | x-ray diffraction | A, B | HEM, 5PJ | — |
| 5EK2 | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | x-ray diffraction | A, B | — | — |
| 5EK3 | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | x-ray diffraction | A, B | HEM, 5PK | — |
| 5EK3 | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | x-ray diffraction | A, B | — | — |
| 5EK4 | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | x-ray diffraction | A, B | HEM, 5PF | — |
| 5EK4 | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | x-ray diffraction | A, B | — | — |
| 5ETW | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | x-ray diffraction | A, B | HEM, XNL | — |
| 5ETW | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | x-ray diffraction | A, B | — | — |
| 5WHR | Discovery of a novel and selective ido-1 inhibitor pf-06840003 and its characterization as a… | x-ray diffraction | A, B | HEM, AOJ | — |
| 5WMU | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase… | x-ray diffraction | A, B | HEM, CYN | — |
| 5WMV | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase… | x-ray diffraction | A, B | CYN, HEM, ZCW | — |
| 5WMW | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase… | x-ray diffraction | A, B | HEM, CYN | — |
| 5WMX | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase… | x-ray diffraction | A, B | CYN, HEM, ZCW | — |
| 5WN8 | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase… | x-ray diffraction | A, B | HEM, BBJ | — |
| 5XE1 | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with INCB14943 | x-ray diffraction | A, B | HEM, IUU | — |
| 6AZU | Holo IDO1 crystal structure | x-ray diffraction | A, B, C, D | HEM, SO4 | — |
| 6AZV | IDO1/BMS-978587 crystal structure | x-ray diffraction | A, B, C, D | C4V | — |
| 6AZW | IDO1/FXB-001116 crystal structure | x-ray diffraction | A, B | C51 | — |
| 6CXU | Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and… | x-ray diffraction | A, B | HEM, CYN | — |
| 6CXV | Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and… | x-ray diffraction | A, B | HEM, CYN, ZCW | — |
| 6DPQ | Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1 | x-ray diffraction | A, B | HEM, H7P | — |
| 6DPR | Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1 | x-ray diffraction | A, B | HEM, H7P | — |
| 6E35 | Crystal structure of human indoleamime 2,3-dioxygenase (IDO1) in complex with L-Trp and cyanide… | x-ray diffraction | A, B | HEM, CYN, TRP, ZCW | 7 (best 0.88) |
| 6E35 | Crystal structure of human indoleamime 2,3-dioxygenase (IDO1) in complex with L-TRP and cyanide… | x-ray diffraction | A, B | HEM, CYN, ZCW | — |
| 6E40 | Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complexed with ferric heme and… | x-ray diffraction | A, B, C, D | HEM, BBJ | — |
| 6E41 | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and an… | x-ray diffraction | A, B, C, D | HEM, HQS | — |
| 6E41 | Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and an… | x-ray diffraction | A, B, C, D | HEM, HQS | — |
| 6E42 | Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and… | x-ray diffraction | A, B, C, D | HEM, HQJ, PO4 | — |
| 6E43 | Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) in complex with a bms-978587 analog | x-ray diffraction | A, B, C, D | HQM, BEZ | — |
| 6E44 | Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) free enzyme in the ferric state | x-ray diffraction | A, B, C, D | HEM, PO4 | — |
| 6E45 | Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) free enzyme in the ferrous state | x-ray diffraction | A, B, C, D | HEM, PO4 | — |
| 6E46 | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferrous heme and… | x-ray diffraction | A, B, C, D | HEM, TRP, PO4 | 20 (best 0.86) |
| 6E46 | Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferrous heme and… | x-ray diffraction | A, B, C, D | HEM, PO4 | — |
| 6F0A | Crystal structure of human indoleamine 2,3-dioxygenase bound to a triazole inhibitor and alanine… | x-ray diffraction | A, C | C82, ALA, HEM | 9 (best 0.88) |
| 6F0A | Crystal structure of human indoleamine 2,3-dioxygenase bound to a triazole inhibitor and alanine… | x-ray diffraction | A, C | C82, HEM | — |
| 6KOF | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 47 | x-ray diffraction | A, B | HEM, DO9 | — |
| 6KOF | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 47 | x-ray diffraction | A, B | HEM, DO9 | — |
| 6KPS | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 36 | x-ray diffraction | A, B | HEM, DU6 | — |
| 6KPS | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 36 | x-ray diffraction | A, B | HEM, DU6 | — |
| 6KW7 | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 12 | x-ray diffraction | A, B | HEM, DYC | — |
| 6MQ6 | Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1 | x-ray diffraction | A, B | HEM, H7P | — |
| 6O3I | Crystal Structure of Human IDO1 bound to navoximod (NLG-919) | x-ray diffraction | A, B | HEM, LKP | — |
| 6O3I | Crystal structure of human IDO1 bound to navoximod (nlg-919) | x-ray diffraction | A, B | HEM, LKP | — |
| 6PU7 | Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4… | x-ray diffraction | A, B | HEM, OY4 | — |
| 6PZ1 | Crystal structure of human indoleamine 2,3-dioxygenase 1 in complex with pf-06840003 in active site… | x-ray diffraction | A, B | HEM, AOJ | — |
| 6R63 | Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and mmg-0358 | x-ray diffraction | A, B | HEM, JTB | — |
| 6UBP | Crystal structure of a photochemical intermediate of human indoleamine 2,3-dioxygenase 1 in complex… | x-ray diffraction | A, B | HEM, CMO | — |
| 6V52 | IDO1 in complex with compound 1 | x-ray diffraction | A, B | QPV | — |
33 records more on the page itself.
Ligands
- HEM · Protoporphyrin IX containing Fe · in 60 records
- PO4 · Phosphate ion · in 9 records
- CYN · Cyanide ion · in 8 records
- ZCW · 2-(1H-indol-3-yl)ethanol · in 5 records
- CL · Chloride ion · in 4 records
- H7P · (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide · in 3 records
- 6RI · N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide · in 2 records
- AOJ · (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione · in 2 records
- BBJ · N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide · in 2 records
- C82 · ~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine · in 2 records
- DO9 · 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl) imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea · in 2 records
- DU6 · 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl) imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea · in 2 records
- HQS · N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide · in 2 records
- HS0 · 6-bromanyl-1~{H}-indazol-4-amine · in 2 records
- HU3 · (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl) amino]methyl]cyclohexan-1-ol · in 2 records
- HU6 · (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl) amino]methyl]cyclohexan-1-ol · in 2 records
- LKP · trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol · in 2 records
- N2U · O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate · in 2 records
- N39 · O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl) sulfonylamino]pent-2-ene-1,2,5-tricarboxylate · in 2 records
- NA · Sodium ion · in 2 records
- RCW · 4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline · in 2 records
- SO4 · Sulfate ion · in 2 records
- TRP · Tryptophan · in 2 records
- URJ · 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide · in 2 records
- 5PF · (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol · in 1 record
- 5PJ · 1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone · in 1 record
- 5PK · (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol · in 1 record
- 6IZ · 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl) oxetane-3-carboxamide · in 1 record
- 6ZI · 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide · in 1 record
- ALA · Alanine · in 1 record
Experiment against prediction
- 6E46 chain B against the predicted model P14902: TM-score 1.00, RMSD 0.44 Å
- 6E46 chain D against the predicted model P14902: TM-score 1.00, RMSD 0.50 Å
- 6E46 chain C against the predicted model P14902: TM-score 0.99, RMSD 0.55 Å
- 6E45 chain D against the predicted model P14902: TM-score 0.99, RMSD 0.65 Å
- 6E46 chain B against the predicted model P14902: TM-score 0.99, RMSD 0.44 Å
- 6E46 chain A against the predicted model P14902: TM-score 0.99, RMSD 0.62 Å
- 6E44 chain D against the predicted model P14902: TM-score 0.99, RMSD 0.66 Å
- 6E40 chain B against the predicted model P14902: TM-score 0.99, RMSD 0.67 Å
- 6X5Y chain B against the predicted model P14902: TM-score 0.99, RMSD 0.60 Å
- 5WHR chain B against the predicted model P14902: TM-score 0.99, RMSD 0.61 Å
Elsewhere
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