UniProt Q9Y2J8
Protein-arginine deiminase type-2 (Q9Y2J8)
Protein-arginine deiminase type-2 (UniProt Q9Y2J8), EC 3.5.3.15: 41 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 19 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- Q9Y2J8
- Protein
- Protein-arginine deiminase type-2
- EC
- 3.5.3.15
- Experimental structures
- 41
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 19 · 3 records with a druggable one
Structures
42 records of Q9Y2J8 in the MolNFT archive: 41 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4N20 | Crystal structure of Protein Arginine Deiminase 2 (0 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N20 | Crystal structure of protein arginine deiminase 2 (0 mm CA2+) | x-ray diffraction | A | — | — |
| 4N22 | Crystal structure of Protein Arginine Deiminase 2 (50 uM Ca2+) | x-ray diffraction | A | — | — |
| 4N22 | Crystal structure of protein arginine deiminase 2 (50 um CA2+) | x-ray diffraction | A | — | — |
| 4N24 | Crystal structure of Protein Arginine Deiminase 2 (100 uM Ca2+) | x-ray diffraction | A | — | — |
| 4N24 | Crystal structure of protein arginine deiminase 2 (100 um CA2+) | x-ray diffraction | A | — | — |
| 4N25 | Crystal structure of Protein Arginine Deiminase 2 (250 uM Ca2+) | x-ray diffraction | A | — | — |
| 4N25 | Crystal structure of protein arginine deiminase 2 (250 um CA2+) | x-ray diffraction | A | — | — |
| 4N26 | Crystal structure of Protein Arginine Deiminase 2 (500 uM Ca2+) | x-ray diffraction | A | — | — |
| 4N26 | Crystal structure of protein arginine deiminase 2 (500 um CA2+) | x-ray diffraction | A | — | — |
| 4N28 | Crystal structure of Protein Arginine Deiminase 2 (1 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N28 | Crystal structure of protein arginine deiminase 2 (1 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2A | Crystal structure of Protein Arginine Deiminase 2 (5 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2A | Crystal structure of protein arginine deiminase 2 (5 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2B | Crystal structure of Protein Arginine Deiminase 2 (10 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2B | Crystal structure of protein arginine deiminase 2 (10 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2C | Crystal structure of Protein Arginine Deiminase 2 (F221/222A, 10 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2C | Crystal structure of protein arginine deiminase 2 (F221/222A, 10 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2D | Crystal structure of Protein Arginine Deiminase 2 (D123N, 0 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2D | Crystal structure of protein arginine deiminase 2 (D123N, 0 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2E | Crystal structure of Protein Arginine Deiminase 2 (D123N, 10 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2E | Crystal structure of protein arginine deiminase 2 (D123N, 10 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2F | Crystal structure of Protein Arginine Deiminase 2 (D169A, 0 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2F | Crystal structure of protein arginine deiminase 2 (D169A, 0 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2G | Crystal structure of Protein Arginine Deiminase 2 (D169A, 10 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2G | Crystal structure of protein arginine deiminase 2 (D169A, 10 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2H | Crystal structure of Protein Arginine Deiminase 2 (D177A, 0 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2H | Crystal structure of protein arginine deiminase 2 (D177A, 0 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2I | Crystal structure of Protein Arginine Deiminase 2 (D177A, 10 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2I | Crystal structure of protein arginine deiminase 2 (D177A, 10 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2K | Crystal structure of Protein Arginine Deiminase 2 (Q350A, 0 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2K | Crystal structure of protein arginine deiminase 2 (Q350A, 0 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2L | Crystal structure of Protein Arginine Deiminase 2 (Q350A, 10 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2L | Crystal structure of protein arginine deiminase 2 (Q350A, 10 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2M | Crystal structure of Protein Arginine Deiminase 2 (E354A, 0 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2M | Crystal structure of protein arginine deiminase 2 (E354A, 0 mm CA2+) | x-ray diffraction | A | — | — |
| 4N2N | Crystal structure of Protein Arginine Deiminase 2 (E354A, 10 mM Ca2+) | x-ray diffraction | A | — | — |
| 4N2N | Crystal structure of protein arginine deiminase 2 (E354A, 10 mm CA2+) | x-ray diffraction | A | — | — |
| 9B96 | Crystal structure of the human PAD2 protein bound to inhibitor | x-ray diffraction | A | A1AJA, CA | 7 (best 0.78) |
| 9B97 | Crystal structure of the human PAD2 protein bound to small molecule | x-ray diffraction | A | A1AJB, CA | 4 (best 0.69) |
| 9B98 | Crystal structure of the human PAD2 protein bound to small molecule | x-ray diffraction | A | CA, A1AJC | 2 (best 0.67) |
| Q9Y2J8 | AlphaFold monomer V2.0 prediction for protein-arginine deiminase type-2 (Q9Y2J8) | predicted | A | — | 6 (best 0.41) |
Ligands
- CA · Calcium ion · in 3 records
- A1AJA · 1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide · in 1 record
- A1AJB · (1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide · in 1 record
- A1AJC · (5P)-N,N-diethyl-2-fluoro-5-(2-[({1-[2-(methylamino)-2-oxoethyl]cyclohexyl}methyl)amino]-6-{methyl[1-(2-methyl-1-phenyl-1H-1,3-benzimidazole-5-carbonyl)piperidin-4-yl]amino}pyrimidin-4-yl)benzamide · in 1 record
Experiment against prediction
- 4N2C chain A against the predicted model Q9Y2J8: TM-score 0.99, RMSD 0.89 Å
- 4N2C chain A against the predicted model Q9Y2J8: TM-score 0.99, RMSD 0.89 Å
- 9B98 chain A against the predicted model Q9Y2J8: TM-score 0.99, RMSD 0.88 Å
- 9B97 chain A against the predicted model Q9Y2J8: TM-score 0.99, RMSD 1.07 Å
- 4N2A chain A against the predicted model Q9Y2J8: TM-score 0.98, RMSD 1.17 Å
- 4N2A chain A against the predicted model Q9Y2J8: TM-score 0.98, RMSD 1.17 Å
- 4N2B chain A against the predicted model Q9Y2J8: TM-score 0.98, RMSD 1.09 Å
- 4N2B chain A against the predicted model Q9Y2J8: TM-score 0.98, RMSD 1.09 Å
- 4N2E chain A against the predicted model Q9Y2J8: TM-score 0.98, RMSD 1.11 Å
- 4N2E chain A against the predicted model Q9Y2J8: TM-score 0.98, RMSD 1.11 Å
Elsewhere
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