UniProt P25103
Substance-P receptor (P25103)
Substance-P receptor (UniProt P25103), EC 3.2.1.17: 23 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 28 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P25103
- Protein
- Substance-P receptor
- EC
- 3.2.1.17
- Experimental structures
- 23
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 28 · 7 records with a druggable one
Structures
24 records of P25103 in the MolNFT archive: 23 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2KS9 | Solution conformation of substance P in water complexed with NK1R | solution nmr | A | — | — |
| 2KS9 | Solution conformation of substance P in water complexed with NK1R | solution nmr | A | — | — |
| 2KSA | Substance P in DMPC/CHAPS isotropic q=0.25 bicelles as a ligand for NK1R | solution nmr | A | — | — |
| 2KSA | Substance P in DMPC/CHAPS isotropic Q=0.25 bicelles as a ligand for NK1R | solution nmr | A | — | — |
| 2KSB | Substance P in isotropic q=0.25 DMPC/CHAPS/GM1 bicelles as a ligand for NK1R | solution nmr | A | — | — |
| 2KSB | Substance P in isotropic Q=0.25 DMPC/CHAPS/GM1 bicelles as a ligand for NK1R | solution nmr | A | — | — |
| 6E59 | Crystal structure of the human NK1 tachykinin receptor | x-ray diffraction | A | L76 | 7 (best 0.77) |
| 6E59 | Crystal structure of the human NK1 tachykinin receptor | x-ray diffraction | A | L76 | — |
| 6HLL | Crystal structure of the neurokinin 1 receptor in complex with the small molecule antagonist… | x-ray diffraction | A | GBK | — |
| 6HLO | Crystal structure of the neurokinin 1 receptor in complex with the small molecule antagonist… | x-ray diffraction | A | GBQ, OLA | — |
| 6HLP | Crystal structure of the neurokinin 1 receptor in complex with the small molecule antagonist… | x-ray diffraction | A | GAW, OLA | — |
| 6J20 | Crystal structure of the human NK1 substance P receptor | x-ray diffraction | A | GBQ | 3 (best 0.72) |
| 6J20 | Crystal structure of the human NK1 substance P receptor | x-ray diffraction | A | GBQ | — |
| 6J21 | Crystal structure of the human NK1 substance P receptor | x-ray diffraction | A | GBQ | — |
| 7P00 | Human neurokinin 1 receptor (NK1R) substance P gq chimera (mgsqi) complex | electron microscopy | R | NH2, CLR | — |
| 7P02 | Human Neurokinin 1 receptor (NK1R) substance P Gs complex | electron microscopy | R | CLR | 3 (best 0.72) |
| 7P02 | Human neurokinin 1 receptor (NK1R) substance P gs complex | electron microscopy | R | NH2, CLR | — |
| 7RMG | Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70 | electron microscopy | R | — | 4 (best 0.72) |
| 7RMG | Substance P bound to active human neurokinin 1 receptor in complex with MINIGS/Q70 | electron microscopy | R | NH2 | — |
| 7RMH | Substance P bound to active human neurokinin 1 receptor in complex with miniGs399 | electron microscopy | R | — | 4 (best 0.71) |
| 7RMH | Substance P bound to active human neurokinin 1 receptor in complex with MINIGS399 | electron microscopy | R | NH2 | — |
| 7RMI | SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with miniGs/q70 | electron microscopy | R | — | 4 (best 0.75) |
| 7RMI | SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with MINIGS/Q70 | electron microscopy | R | NH2 | — |
| P25103 | AlphaFold monomer V2.0 prediction for substance-P receptor (P25103) | predicted | A | — | 3 (best 0.82) |
Ligands
- NH2 · Amino group · in 5 records
- GBQ · 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl) morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one · in 4 records
- CLR · Cholesterol · in 3 records
- L76 · 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl) phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine · in 2 records
- OLA · Oleic acid · in 2 records
- GAW · 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl) pyridin-3-yl]propanamide · in 1 record
- GBK · (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine · in 1 record
Experiment against prediction
- 7P02 chain R against the predicted model P25103: TM-score 0.93, RMSD 1.89 Å
- 7P02 chain R against the predicted model P25103: TM-score 0.93, RMSD 1.89 Å
- 7RMI chain R against the predicted model P25103: TM-score 0.92, RMSD 1.92 Å
- 7RMI chain R against the predicted model P25103: TM-score 0.92, RMSD 1.92 Å
- 7RMH chain R against the predicted model P25103: TM-score 0.92, RMSD 1.92 Å
- 7RMH chain R against the predicted model P25103: TM-score 0.92, RMSD 1.92 Å
- 7RMG chain R against the predicted model P25103: TM-score 0.92, RMSD 1.95 Å
- 7RMG chain R against the predicted model P25103: TM-score 0.92, RMSD 1.95 Å
- 7P00 chain R against the predicted model P25103: TM-score 0.92, RMSD 2.02 Å
- 2KS9 chain A against the predicted model P25103: TM-score 0.74, RMSD 4.11 Å
Elsewhere
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