UniProt P40261
Nicotinamide N-methyltransferase (P40261)
Nicotinamide N-methyltransferase (UniProt P40261), EC 2.1.1.1: 21 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 24 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- P40261
- Protein
- Nicotinamide N-methyltransferase
- EC
- 2.1.1.1
- Experimental structures
- 21
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 24 · 3 records with a druggable one
Structures
22 records of P40261 in the MolNFT archive: 21 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2IIP | Human Nicotinamide N-methyltransferase | x-ray diffraction | A, B, C, D | — | — |
| 2IIP | Human nicotinamide N-methyltransferase | x-ray diffraction | A, B, C, D | — | — |
| 3ROD | Methyltransferase | x-ray diffraction | A, B, C, D | — | — |
| 3ROD | Methyltransferase | x-ray diffraction | A, B, C, D | — | — |
| 5YJF | Co-crystal structure of human nicotinamide N-methyltransferase (nnmt) with small molecule analog of… | x-ray diffraction | A, B, C, D | 8WO | — |
| 6CHH | Structure of human nnmt in complex with bisubstrate inhibitor MS2756 | x-ray diffraction | A, B, C, D | — | — |
| 7BKG | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor… | x-ray diffraction | A, B, C, D | SAH, U0Z | 11 (best 0.80) |
| 7BKG | Co-crystal structure of human nicotinamide N-methyltransferase (nnmt) with the tricyclic inhibitor… | x-ray diffraction | A, B, C, D | U0Z | — |
| 7BLE | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor… | x-ray diffraction | A, B, C, D | SAH, U1W | 12 (best 0.81) |
| 7BLE | Co-crystal structure of human nicotinamide N-methyltransferase (nnmt) with the tricyclic inhibitor… | x-ray diffraction | A, B, C, D | U1W | — |
| 7EGU | Structure of human nnmt in complex with macrocyclic peptide X | x-ray diffraction | A | — | — |
| 7EHZ | Structure of human nnmt in complex with macrocyclic peptide 2 | x-ray diffraction | A | — | — |
| 7EI2 | Structure of human NNMT in complex with macrocyclic peptide 8 | x-ray diffraction | A | — | — |
| 7EI2 | Structure of human nnmt in complex with macrocyclic peptide 8 | x-ray diffraction | A | — | — |
| 7ET7 | Co-crystal structure of human nicotinamide N-methyltransferase (nnmt) with tricyclic small molecule… | x-ray diffraction | A, B, C, D | JCU | — |
| 7EU5 | Co-crystal structure of human nicotinamide N-methyltransferase (nnmt) with tricyclic small molecule… | x-ray diffraction | A, B, C, D | JDL | — |
| 7NBJ | Co-crystal structure of human nicotinamide N-methyltransferase (nnmt) with the bisubstrate-like… | x-ray diffraction | A, B, C, D | U7H | — |
| 7NBM | Co-crystal structure of human nicotinamide N-methyltransferase (nnmt) with the bisubstrate-like… | x-ray diffraction | A, B, C, D | U7K | — |
| 7NBQ | Co-crystal structure of human nicotinamide N-methyltransferase (nnmt) with the tricyclic inhibitor… | x-ray diffraction | A, B, C, D | U72 | — |
| 7WMC | Crystal structure of macrocyclic peptide 1 bound to human nicotinamide N-methyltransferase | x-ray diffraction | A, B | — | — |
| 7WMT | Crystal structure of small molecule 13 bound to human nicotinamide N- methyltransferase | x-ray diffraction | A | 1IV | — |
| P40261 | AlphaFold monomer V2.0 prediction for nicotinamide N-methyltransferase (P40261) | predicted | A | — | 1 (best 0.81) |
Ligands
- SAH · S-adenosyl-L-homocysteine · in 2 records
- U0Z · 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline · in 2 records
- U1W · 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6, 8(12)-trien-2-imine · in 2 records
- 1IV · [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone · in 1 record
- 8WO · 6-methoxy-1-methyl-2H-pyridine-3-carboxamide · in 1 record
- JCU · 10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6, 8(12)-trien-11-imine · in 1 record
- JDL · 6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4, 12}]dodeca-4,6,8(12)-trien-11-imine · in 1 record
- U72 · 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine · in 1 record
- U7H · 2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1H-pyrazol-1-yl)propan-1-one · in 1 record
- U7K · (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl) piperazin-1-yl)-2-methylpropan-1-one · in 1 record
Experiment against prediction
- 7BLE chain D against the predicted model P40261: TM-score 0.99, RMSD 0.50 Å
- 7BLE chain C against the predicted model P40261: TM-score 0.99, RMSD 0.51 Å
- 7NBJ chain C against the predicted model P40261: TM-score 0.99, RMSD 0.53 Å
- 7NBJ chain D against the predicted model P40261: TM-score 0.99, RMSD 0.54 Å
- 7NBM chain D against the predicted model P40261: TM-score 0.99, RMSD 0.55 Å
- 7ET7 chain D against the predicted model P40261: TM-score 0.99, RMSD 0.43 Å
- 7BKG chain D against the predicted model P40261: TM-score 0.99, RMSD 0.59 Å
- 5YJF chain C against the predicted model P40261: TM-score 0.99, RMSD 0.44 Å
- 7NBM chain C against the predicted model P40261: TM-score 0.99, RMSD 0.58 Å
- 7EU5 chain C against the predicted model P40261: TM-score 0.99, RMSD 0.46 Å
Elsewhere
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