UniProt O75469
Nuclear receptor subfamily 1 group I member 2 (O75469)
Nuclear receptor subfamily 1 group I member 2 (UniProt O75469), EC 2.3.1.48: 86 experimental structures and 1 predicted model on GenesisL1, 37 ligands bound, 60 pockets. Binding sites, druggability and experiment against…
- UniProt
- O75469
- Protein
- Nuclear receptor subfamily 1 group I member 2
- EC
- 2.3.1.48
- Experimental structures
- 86
- Predicted models
- 1
- Ligands
- 37
- Pockets
- 60 · 16 records with a druggable one
Structures
87 records of O75469 in the MolNFT archive: 86 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1ILG | Crystal Structure of Apo Human Pregnane X Receptor Ligand Binding Domain | x-ray diffraction | A | — | — |
| 1ILG | Crystal structure of apo human pregnane X receptor ligand binding domain | x-ray diffraction | A | — | — |
| 1ILH | Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813 | x-ray diffraction | A | — | — |
| 1ILH | Crystal structure of human pregnane X receptor ligand binding domain bound to SR12813 | x-ray diffraction | A | — | — |
| 1M13 | Crystal Structure of the Human Pregane X Receptor Ligand Binding Domain in Complex with Hyperforin… | x-ray diffraction | A | — | — |
| 1M13 | Crystal structure of the human pregane X receptor ligand binding domain in complex with hyperforin… | x-ray diffraction | A | — | — |
| 1NRL | Crystal Structure of the human PXR-LBD in complex with an SRC-1 coactivator peptide and SR12813 | x-ray diffraction | A, B | — | — |
| 1NRL | Crystal structure of the human pxr-lbd in complex with an src-1 coactivator peptide and SR12813 | x-ray diffraction | A, B | — | — |
| 1SKX | Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin | x-ray diffraction | A | — | — |
| 1SKX | Structural disorder in the complex of human pxr and the macrolide antibiotic rifampicin | x-ray diffraction | A | — | — |
| 2O9I | Crystal Structure of the Human Pregnane X Receptor LBD in complex with an SRC-1 coactivator peptide… | x-ray diffraction | A, B | — | — |
| 2O9I | Crystal structure of the human pregnane X receptor lbd in complex with an src-1 coactivator peptide… | x-ray diffraction | A, B | — | — |
| 2QNV | Crystal Structure of the Pregnane X Receptor bound to Colupulone | x-ray diffraction | A | — | — |
| 2QNV | Crystal structure of the pregnane X receptor bound to colupulone | x-ray diffraction | A | — | — |
| 3CTB | Tethered PXR-LBD/SRC-1p apoprotein | x-ray diffraction | A, B | — | — |
| 3CTB | Tethered pxr-LBD/SRC-1P apoprotein | x-ray diffraction | A, B | — | — |
| 3HVL | Tethered PXR-LBD/SRC-1p complexed with SR-12813 | x-ray diffraction | A, B | — | — |
| 3HVL | Tethered pxr-LBD/SRC-1P complexed with sr-12813 | x-ray diffraction | A, B | — | — |
| 3R8D | Activation of the Human Nuclear Xenobiotic Receptor PXR by the Reverse Transcriptase-Targeted… | x-ray diffraction | A | — | — |
| 3R8D | Activation of the human nuclear xenobiotic receptor pxr by the reverse transcriptase-targeted… | x-ray diffraction | A | — | — |
| 4J5W | Crystal Structure of the apo-PXR/RXRalpha LBD Heterotetramer Complex | x-ray diffraction | A, B | — | — |
| 4J5W | Crystal structure of the apo-PXR/RXRALPHA lbd heterotetramer complex | x-ray diffraction | A, B | — | — |
| 4J5X | Crystal Structure of the SR12813-bound PXR/RXRalpha LBD Heterotetramer Complex | x-ray diffraction | A, B | — | — |
| 4J5X | Crystal structure of the SR12813-bound PXR/RXRALPHA lbd heterotetramer complex | x-ray diffraction | A, B | — | — |
| 4NY9 | Crystal Structure Of the Human PXR-LBD In Complex With… | x-ray diffraction | A | — | — |
| 4NY9 | Crystal structure of the human pxr-lbd in complex with N-{(2R)-1… | x-ray diffraction | A | — | — |
| 4S0S | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN with ADNECTIN-1 | x-ray diffraction | A, B | — | — |
| 4S0S | Structure of human pregnane X receptor ligand binding domain with adnectin-1 | x-ray diffraction | A, B | — | — |
| 4S0T | Structure of human pregnane X receptor ligand binding domain bound with adnectin-1 and compound-1 | x-ray diffraction | A, B | — | — |
| 4S0T | Structure of human pregnane X receptor ligand binding domain bound with adnectin-1 and compound-1 | x-ray diffraction | A, B | — | — |
| 4X1F | Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol | x-ray diffraction | A | — | — |
| 4X1F | Crystal structure of the hpxr-lbd in complex with the synthetic estrogen 17ALPHA-ethinylestradiol | x-ray diffraction | A | — | — |
| 4X1G | Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol… | x-ray diffraction | A | — | — |
| 4X1G | Crystal structure of the hpxr-lbd in complex with the synthetic estrogen 17ALPHA-ethinylestradiol… | x-ray diffraction | A | — | — |
| 4XAO | Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor | x-ray diffraction | A | — | — |
| 4XAO | Crystal structure of the hpxr-lbd obtained in presence of the pesticide trans-nonachlor | x-ray diffraction | A | — | — |
| 4XHD | Structure of human pregnane X receptor ligand binding domain with compound-1 | x-ray diffraction | A | — | — |
| 4XHD | Structure of human pregnane X receptor ligand binding domain with compound-1 | x-ray diffraction | A | — | — |
| 5A86 | Structure of pregnane X receptor in complex with a Sphingosine 1- Phosphate Receptor 1 Antagonist | x-ray diffraction | A, B | D7E | 11 (best 0.86) |
| 5A86 | Structure of pregnane X receptor in complex with a sphingosine 1- phosphate receptor 1 antagonist | x-ray diffraction | A, B | — | — |
| 5X0R | Crystal structure of pxr lbd complexed with SJB7 | x-ray diffraction | A, B | 4WH | — |
| 6BNS | Structure of human pregnane X receptor ligand binding domain bound tethered with src co-activator… | x-ray diffraction | A, B | XGH | — |
| 6DUP | Crystal structure of pxr in complex with compound 7 | x-ray diffraction | A, B | HCJ | — |
| 6HJ2 | Crystal structure of hpxr in complex with dabrafenib | x-ray diffraction | A | P06 | — |
| 6HTY | PXR in complex with P2X4 inhibitor compound 25 | x-ray diffraction | A, B | GRH | — |
| 6HTY | Pxr in complex with P2X4 inhibitor compound 25 | x-ray diffraction | A, B | GRH | — |
| 6NX1 | Structure of human pregnane X receptor ligand binding domain bound tethered with src co-activator… | x-ray diffraction | A, B | L7D | — |
| 6NX1 | Structure of human pregnane X receptor ligand binding domain bound tethered with src co-activator… | x-ray diffraction | A, B | L7D | — |
| 6P2B | Tethered pxr-LBD/SRC-1P bound to garcinoic acid | x-ray diffraction | A, B | NQD | — |
| 6S41 | Crystal structure of pxr in complex with xpc-7455 | x-ray diffraction | A, B | KUB | — |
| 6TFI | Pxr in complex with thrombin inhibitor compound 17 | x-ray diffraction | A, B | PO4, N6H | — |
| 6XP9 | Structure of human pregnane X receptor ligand binding domain bound tethered with src co-activator… | x-ray diffraction | A, B | QCG | — |
| 7AX8 | Crystal structure of the hpxr-lbd in apo form (P43212 sg) | x-ray diffraction | A | — | — |
| 7AX9 | Crystal structure of the hpxr-lbd in complex with cis-chlordane | x-ray diffraction | A | S6H | — |
| 7AXA | Crystal structure of the hpxr-lbd in complex with clotrimazole | x-ray diffraction | A | CL6 | — |
| 7AXB | Crystal structure of the hpxr-lbd in complex with endosulfan | x-ray diffraction | A | S68 | — |
| 7AXC | Crystal structure of the hPXR-LBD in complex with ferutinine | x-ray diffraction | A | 27H | 2 (best 0.81) |
| 7AXC | Crystal structure of the hpxr-lbd in complex with ferutinine | x-ray diffraction | A | 27H | — |
| 7AXD | Crystal structure of the hpxr-lbd in complex with fipronil | x-ray diffraction | A | S6W | — |
| 7AXE | Crystal structure of the hPXR-LBD in complex with oxadiazon | x-ray diffraction | A | S6Z | 3 (best 0.86) |
27 records more on the page itself.
Ligands
- EST · Estradiol · in 5 records
- S68 · endosulfan · in 3 records
- 27H · ferutinine · in 2 records
- 5YU · N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide · in 2 records
- 5YX · N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl) ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide · in 2 records
- CL6 · 1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole · in 2 records
- GRH · (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide · in 2 records
- L7D · 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl) sulfonyl]cyclopentyl}phenyl)propan-2-ol · in 2 records
- P06 · Dabrafenib · in 2 records
- S6H · (+)cis-chlordane · in 2 records
- S6Z · oxadiazon · in 2 records
- TBY · tributylstannanyl · in 2 records
- 07F · 5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one · in 1 record
- 27J · Alpha-zearalanol · in 1 record
- 4WH · 4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole · in 1 record
- AP1 · {3-[3-(3,4-dimethoxy-phenyl)-1-(1-{1-[2-(3,4,5-trimethoxy-phenyl)-butyryl]-piperidin-2YL}-vinyloxy)-propyl]-phenoxy}-acetic acid · in 1 record
- D7E · 4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide · in 1 record
- G3L · Nomilin · in 1 record
- HCJ · (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one · in 1 record
- JQ1 · (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium · in 1 record
- KUB · 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl) benzenesulfonamide · in 1 record
- N6H · [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone · in 1 record
- NQD · (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid · in 1 record
- PO4 · Phosphate ion · in 1 record
- QCG · (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid · in 1 record
- S65 · Heptachlor endo-epoxide · in 1 record
- S6E · (-)cis-chlordane · in 1 record
- S6T · Pretilachlor · in 1 record
- S6W · Fipronil · in 1 record
- UAI · 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol · in 1 record
Experiment against prediction
- 2O9I chain A against the predicted model O75469: TM-score 0.99, RMSD 0.54 Å
- 2O9I chain A against the predicted model O75469: TM-score 0.99, RMSD 0.54 Å
- 5A86 chain A against the predicted model O75469: TM-score 0.99, RMSD 0.54 Å
- 5A86 chain A against the predicted model O75469: TM-score 0.99, RMSD 0.54 Å
- 5X0R chain A against the predicted model O75469: TM-score 0.99, RMSD 0.54 Å
- 1NRL chain A against the predicted model O75469: TM-score 0.99, RMSD 0.60 Å
- 1NRL chain A against the predicted model O75469: TM-score 0.99, RMSD 0.60 Å
- 4S0S chain A against the predicted model O75469: TM-score 0.99, RMSD 0.62 Å
- 4S0S chain A against the predicted model O75469: TM-score 0.99, RMSD 0.62 Å
- 5A86 chain B against the predicted model O75469: TM-score 0.99, RMSD 0.67 Å
Elsewhere
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