UniProt Q13822
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Q13822)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (UniProt Q13822), EC 3.1.4.39: 11 experimental structures and 1 predicted model on GenesisL1, 15 ligands bound, 28 pockets. Binding sites, druggability and…
- UniProt
- Q13822
- Protein
- Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
- EC
- 3.1.4.39
- Experimental structures
- 11
- Predicted models
- 1
- Ligands
- 15
- Pockets
- 28 · 2 records with a druggable one
Structures
12 records of Q13822 in the MolNFT archive: 11 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4ZG6 | Structural basis for inhibition of human autotaxin by four novel compounds | x-ray diffraction | A, B | — | — |
| 4ZG7 | Structural basis for inhibition of human autotaxin by four novel compounds | x-ray diffraction | A | — | — |
| 4ZG9 | Structural basis for inhibition of human autotaxin by four novel compounds | x-ray diffraction | A, B | — | — |
| 4ZGA | Structural basis for inhibition of human autotaxin by four novel compounds | x-ray diffraction | A | — | — |
| 5KXA | Selective Inhibition of Autotaxin is Effective in Mouse Models of Liver Fibrosis | x-ray diffraction | A | NAG, ZN, CA, 6Y7, PO4 | 8 (best 0.76) |
| 5KXA | Selective inhibition of autotaxin is effective in mouse models of liver fibrosis | x-ray diffraction | A | NAG, ZN, CA, 6Y7, PO4 | — |
| 5M7M | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | x-ray diffraction | A | NAG, MAN, 7HR, IOD, CL, SCN | — |
| 5M7M | Novel IMIDAZO[1,2-A]PYRIDINE derivatives with potent AUTOTAXIN/ENPP2 inhibitor activity | x-ray diffraction | A | NAG, MAN, 7HR, IOD, CL, SCN | — |
| 5MHP | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | x-ray diffraction | A | NAG, MAN, ZN, CA, MG, IOD | — |
| 5MHP | Novel IMIDAZO[1,2-A]PYRIDINE derivatives with potent AUTOTAXIN/ENPP2 inhibitor activity | x-ray diffraction | A | NAG, MAN, ZN, CA, MG, IOD | — |
| 8C3O | Crystal structure of autotaxin gamma and compound MEY-003 | x-ray diffraction | A, B | NAG, 5JK, T8R, ZN, IOD, CA | 20 (best 0.77) |
| Q13822 | AlphaFold monomer V2.0 prediction for ectonucleotide PYROPHOSPHATASE/PHOSPHODIESTERASE family… | predicted | A | — | — |
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 7 records
- ZN · Zinc ion · in 7 records
- PO4 · Phosphate ion · in 6 records
- CA · Calcium ion · in 5 records
- IOD · Iodide ion · in 5 records
- CL · Chloride ion · in 4 records
- MAN · alpha-D-mannopyranose · in 4 records
- SCN · Thiocyanate ion · in 4 records
- 6Y7 · 3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid · in 2 records
- 7HR · ~{N}-[6-[1-[3-(dimethylamino)propylsulfonyl]piperidin-4-yl]-2-ethyl-imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-~{N}-methyl-1,3-thiazol-2-amine · in 2 records
- K · Potassium ion · in 2 records
- MG · Magnesium ion · in 2 records
- NI · Nickel (II) ion · in 2 records
- 5JK · 7alpha-hydroxycholesterol · in 1 record
- T8R · 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one · in 1 record
Experiment against prediction
- 4ZG6 chain B against the predicted model Q13822: TM-score 1.00, RMSD 0.44 Å
- 4ZG6 chain A against the predicted model Q13822: TM-score 1.00, RMSD 0.46 Å
- 4ZGA chain A against the predicted model Q13822: TM-score 1.00, RMSD 0.54 Å
- 8C3O chain B against the predicted model Q13822: TM-score 1.00, RMSD 0.61 Å
- 5KXA chain A against the predicted model Q13822: TM-score 1.00, RMSD 0.64 Å
- 5KXA chain A against the predicted model Q13822: TM-score 1.00, RMSD 0.64 Å
- 5M7M chain A against the predicted model Q13822: TM-score 0.99, RMSD 0.74 Å
- 5M7M chain A against the predicted model Q13822: TM-score 0.99, RMSD 0.74 Å
- 5MHP chain A against the predicted model Q13822: TM-score 0.99, RMSD 0.71 Å
- 5MHP chain A against the predicted model Q13822: TM-score 0.99, RMSD 0.71 Å
Elsewhere
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