UniProt Q9R1E6
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Q9R1E6)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (UniProt Q9R1E6), EC 3.1.4.39: 43 experimental structures and 1 predicted model on GenesisL1, 19 ligands bound, 66 pockets. Binding sites, druggability and…
- UniProt
- Q9R1E6
- Protein
- Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
- EC
- 3.1.4.39
- Experimental structures
- 43
- Predicted models
- 1
- Ligands
- 19
- Pockets
- 66 · 5 records with a druggable one
Structures
44 records of Q9R1E6 in the MolNFT archive: 43 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3NKM | Crystal structure of mouse autotaxin | x-ray diffraction | A | — | — |
| 3NKM | Crystal structure of mouse autotaxin | x-ray diffraction | A | — | — |
| 3NKN | Crystal structure of mouse autotaxin in complex with 14:0-LPA | x-ray diffraction | A | — | — |
| 3NKN | Crystal structure of mouse autotaxin in complex with 14:0-lpa | x-ray diffraction | A | — | — |
| 3NKO | Crystal structure of mouse autotaxin in complex with 16:0-LPA | x-ray diffraction | A | — | — |
| 3NKO | Crystal structure of mouse autotaxin in complex with 16:0-lpa | x-ray diffraction | A | — | — |
| 3NKP | Crystal structure of mouse autotaxin in complex with 18:1-LPA | x-ray diffraction | A | — | — |
| 3NKP | Crystal structure of mouse autotaxin in complex with 18:1-lpa | x-ray diffraction | A | — | — |
| 3NKQ | Crystal structure of mouse autotaxin in complex with 18:3-LPA | x-ray diffraction | A | — | — |
| 3NKQ | Crystal structure of mouse autotaxin in complex with 18:3-lpa | x-ray diffraction | A | — | — |
| 3NKR | Crystal structure of mouse autotaxin in complex with 22:6-LPA | x-ray diffraction | A | — | — |
| 3NKR | Crystal structure of mouse autotaxin in complex with 22:6-lpa | x-ray diffraction | A | — | — |
| 3WAV | Crystal Structure of Autotaxin in Complex with Compound 10 | x-ray diffraction | A | — | — |
| 3WAV | Crystal structure of autotaxin in complex with compound 10 | x-ray diffraction | A | — | — |
| 3WAW | Crystal Structure of Autotaxin in Complex with 2BoA | x-ray diffraction | A | — | — |
| 3WAW | Crystal structure of autotaxin in complex with 2BOA | x-ray diffraction | A | — | — |
| 3WAX | Crystal Structure of Autotaxin in Complex with 3BoA | x-ray diffraction | A | — | — |
| 3WAX | Crystal structure of autotaxin in complex with 3BOA | x-ray diffraction | A | — | — |
| 3WAY | Crystal Structure of Autotaxin in Complex with 4BoA | x-ray diffraction | A | — | — |
| 3WAY | Crystal structure of autotaxin in complex with 4BOA | x-ray diffraction | A | — | — |
| 4GTW | Crystal structure of mouse Enpp1 in complex with AMP | x-ray diffraction | A, B | — | — |
| 4GTW | Crystal structure of mouse ENPP1 in complex with AMP | x-ray diffraction | A, B | — | — |
| 4GTX | Crystal structure of mouse Enpp1 in complex with TMP | x-ray diffraction | A, B | — | — |
| 4GTX | Crystal structure of mouse ENPP1 in complex with tmp | x-ray diffraction | A, B | — | — |
| 4GTY | Crystal structure of mouse Enpp1 in complex with GMP | x-ray diffraction | A, B | — | — |
| 4GTY | Crystal structure of mouse ENPP1 in complex with gmp | x-ray diffraction | A, B | — | — |
| 4GTZ | Crystal structure of mouse Enpp1 in complex with CMP | x-ray diffraction | A, B | — | — |
| 4GTZ | Crystal structure of mouse ENPP1 in complex with cmp | x-ray diffraction | A, B | — | — |
| 5HRT | Crystal structure of mouse autotaxin in complex with a DNA aptamer | x-ray diffraction | A | NAG, MAN, ZN, CA, NA, CL | 15 (best 0.84) |
| 5HRT | Crystal structure of mouse autotaxin in complex with a DNA aptamer | x-ray diffraction | A | — | — |
| 5INH | Crystal structure of Autotaxin/ENPP2 with a covalent fragment | x-ray diffraction | A | NAG, MAN, ZN, CA, 6C1 | — |
| 5INH | Crystal structure of AUTOTAXIN/ENPP2 with a covalent fragment | x-ray diffraction | A | — | — |
| 5LIA | Crystal structure of murine autotaxin in complex with a small molecule inhibitor | x-ray diffraction | A | NAG, MAN, 6XN, ZN, SO4, CA | — |
| 5LIA | Crystal structure of murine autotaxin in complex with a small molecule inhibitor | x-ray diffraction | A | NAG, MAN, 6XN, ZN, SO4, CA | — |
| 5OHI | Crystal structure of autotaxin in complex with BI-2545 | x-ray diffraction | A | NAG, MAN, ZN, CA, NA, K | 15 (best 0.77) |
| 5OHI | Crystal structure of autotaxin in complex with bi-2545 | x-ray diffraction | A | NAG, MAN, ZN, CA, NA, K | — |
| 5OLB | Crystal structure of autotaxin in complex with pf-8380 | x-ray diffraction | A | NAG, FUC, MAN, ZN, CA, NA | — |
| 6LEH | Crystal structure of Autotaxin in complex with an inhibitor | x-ray diffraction | A | NAG, MAN, ZN, CA, NA, K | 11 (best 0.74) |
| 6LEH | Crystal structure of autotaxin in complex with an inhibitor | x-ray diffraction | A | NAG, MAN, ZN, CA, NA, K | — |
| 6Y5M | Crystal structure of mouse Autotaxin in complex with compound 1a | x-ray diffraction | A | NAG, MAN, ZN, PO4, CL, O9W | 13 (best 0.74) |
| 6Y5M | Crystal structure of mouse autotaxin in complex with compound 1A | x-ray diffraction | A | NAG, MAN, ZN, PO4, CL, O9W | — |
| 7MFH | Crystal structure of BIO-32546 bound mouse Autotaxin | x-ray diffraction | A | NAG, MAN, ZF7, IOD, ZN | 12 (best 0.77) |
| 7MFH | Crystal structure of bio-32546 bound mouse autotaxin | x-ray diffraction | A | NAG, MAN, ZF7, IOD, ZN | — |
| Q9R1E6 | AlphaFold monomer V2.0 prediction for ectonucleotide PYROPHOSPHATASE/PHOSPHODIESTERASE family… | predicted | A | — | — |
Ligands
- MAN · alpha-D-mannopyranose · in 13 records
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 13 records
- ZN · Zinc ion · in 13 records
- NA · Sodium ion · in 10 records
- CA · Calcium ion · in 9 records
- CL · Chloride ion · in 8 records
- K · Potassium ion · in 8 records
- SO4 · Sulfate ion · in 5 records
- 6XN · ~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethyloxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide · in 2 records
- 9V8 · [3,5-bis(trifluoromethyl)phenyl]methyl (1~{S},5~{R})-6-[(1~{H}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate · in 2 records
- IOD · Iodide ion · in 2 records
- O9W · (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl) methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one · in 2 records
- P3G · 3,6,9,12,15-pentaoxaheptadecane · in 2 records
- PO4 · Phosphate ion · in 2 records
- ZF7 · (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid · in 2 records
- 6C1 · {2-[(3-chlorophenyl)methoxy]phenyl}boronic acid · in 1 record
- 6ZO · (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate · in 1 record
- EAR · ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate · in 1 record
- FUC · alpha-L-fucopyranose · in 1 record
Experiment against prediction
- 3NKM chain A against the predicted model Q9R1E6: TM-score 1.00, RMSD 0.47 Å
- 3NKM chain A against the predicted model Q9R1E6: TM-score 1.00, RMSD 0.47 Å
- 3WAV chain A against the predicted model Q9R1E6: TM-score 1.00, RMSD 0.47 Å
- 3WAV chain A against the predicted model Q9R1E6: TM-score 1.00, RMSD 0.47 Å
- 6LEH chain A against the predicted model Q9R1E6: TM-score 1.00, RMSD 0.51 Å
- 3NKP chain A against the predicted model Q9R1E6: TM-score 1.00, RMSD 0.49 Å
- 3NKP chain A against the predicted model Q9R1E6: TM-score 1.00, RMSD 0.49 Å
- 3WAW chain A against the predicted model Q9R1E6: TM-score 1.00, RMSD 0.50 Å
- 3WAW chain A against the predicted model Q9R1E6: TM-score 1.00, RMSD 0.50 Å
- 3NKQ chain A against the predicted model Q9R1E6: TM-score 1.00, RMSD 0.52 Å
Elsewhere
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