UniProt Q64610
Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Q64610)
Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (UniProt Q64610), EC 3.1.4.39: 92 experimental structures and 1 predicted model on GenesisL1, 86 ligands bound, 713 pockets. Binding sites…
- UniProt
- Q64610
- Protein
- Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
- EC
- 3.1.4.39
- Experimental structures
- 92
- Predicted models
- 1
- Ligands
- 86
- Pockets
- 713 · 57 records with a druggable one
Structures
93 records of Q64610 in the MolNFT archive: 92 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2XR9 | Crystal structure of Autotaxin (ENPP2) | x-ray diffraction | A | — | — |
| 2XR9 | Crystal structure of autotaxin (ENPP2) | x-ray diffraction | A | — | — |
| 2XRG | Crystal structure of Autotaxin (ENPP2) in complex with the HA155 boronic acid inhibitor | x-ray diffraction | A | — | — |
| 2XRG | Crystal structure of autotaxin (ENPP2) in complex with the HA155 boronic acid inhibitor | x-ray diffraction | A | — | — |
| 5DLT | Crystal structure of Autotaxin (ENPP2) with 7-alpha-hydroxycholesterol | x-ray diffraction | A | NAG, ZN, 5JK, CA, IOD, SCN | — |
| 5DLT | Crystal structure of autotaxin (ENPP2) with 7-alpha-hydroxycholesterol | x-ray diffraction | A | — | — |
| 5DLV | Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) | x-ray diffraction | A, B | NAG, MAN, ZN, CA, IOD, PO4 | — |
| 5DLV | Crystal structure of autotaxin (ENPP2) with tauroursodeoxycholic acid (tudca) | x-ray diffraction | A, B | — | — |
| 5DLW | Crystal structure of autotaxin (ENPP2) with tauroursodeoxycholic acid (tudca) and lysophosphatidic… | x-ray diffraction | A | — | — |
| 5IJQ | Crystal structure of autotaxin (ENPP2) re-refined | x-ray diffraction | A | NAG, 5JK, SCN, ZN, PO4, CA | 9 (best 0.75) |
| 5IJQ | Crystal structure of autotaxin (ENPP2) re-refined | x-ray diffraction | A | — | — |
| 5IJS | Crystal structure of autotaxin with orthovanadate bound as a trigonal bipyramidal intermediate… | x-ray diffraction | A | NAG, 5JK, ZN, CA, IOD, NA | — |
| 5IJS | Crystal structure of autotaxin with orthovanadate bound as a trigonal bipyramidal intermediate… | x-ray diffraction | A | — | — |
| 5L0B | Crystal Structure of Autotaxin and Compound 1 | x-ray diffraction | A, B | NAG, MAN, 6ZM, ZN, CL | — |
| 5L0B | Crystal structure of autotaxin and compound 1 | x-ray diffraction | A, B | NAG, MAN, 6ZM, ZN, CL | — |
| 5L0E | Crystal Structure of Autotaxin and Compound 1 | x-ray diffraction | A, B | NAG, MAN, 6ZN, CL, ZN | — |
| 5L0E | Crystal structure of autotaxin and compound 1 | x-ray diffraction | A, B | NAG, MAN, 6ZN, CL, ZN | — |
| 5L0K | Crystal Structure of Autotaxin and Compound PF-8380 | x-ray diffraction | A, B | NAG, ZN, CA, 6ZO, CL | — |
| 5L0K | Crystal structure of autotaxin and compound pf-8380 | x-ray diffraction | A, B | NAG, ZN, CA, 6ZO, CL | — |
| 5LQQ | Structure of autotaxin (ENPP2) with LM350 | x-ray diffraction | A | NAG, MAN, ZN, CA, IOD, 72P | — |
| 5M0D | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | x-ray diffraction | A | NAG, MAN, IOD, ZN, CA, 7C8 | 12 (best 0.76) |
| 5M0D | Structure-based evolution of a hybrid steroid series of autotaxin inhibitors | x-ray diffraction | A | NAG, MAN, IOD, ZN, CA, 7C8 | — |
| 5M0E | Structure-based evolution of a hybrid steroid series of autotaxin inhibitors | x-ray diffraction | A | NAG, ZN, IOD, CA, NA, 5JK | — |
| 5M0M | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | x-ray diffraction | A | NAG, MAN, IOD, ZN, CA, 7CF | 12 (best 0.76) |
| 5M0M | Structure-based evolution of a hybrid steroid series of autotaxin inhibitors | x-ray diffraction | A | NAG, MAN, IOD, ZN, CA, 7CF | — |
| 5M0S | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | x-ray diffraction | A | NAG, MAN, CA, ZN, IOD, 7CW | 13 (best 0.77) |
| 5M0S | Structure-based evolution of a hybrid steroid series of autotaxin inhibitors | x-ray diffraction | A | NAG, MAN, CA, ZN, IOD, 7CW | — |
| 5S9L | AUTOTAXIN, 4-[3-Oxo-3-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]-piperazine-1-carboxylic acid… | x-ray diffraction | A | NAG, MAN, CA, K, 6ZO, ZN | — |
| 5S9L | Autotaxin, 4-[3-oxo-3-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]- piperazine-1-carboxylic acid… | x-ray diffraction | A | NAG, MAN, CA, K, 6ZO, ZN | — |
| 5S9M | AUTOTAXIN, (3,5-dichlorophenyl)methyl (3aS,8aR)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-oc… | x-ray diffraction | A | NAG, MAN, YV1, ZN, CA, CL | 12 (best 0.80) |
| 5S9M | Autotaxin, (3,5-DICHLOROPHENYL)METHYL (3AS,8AR)-2-(1H-benzotriazole-5… | x-ray diffraction | A | NAG, MAN, YV1, ZN, CA, CL | — |
| 5S9N | Autotaxin, [4-(TRIFLUOROMETHOXY)PHENYL]METHYL (3AS,6AS)-2-(1H… | x-ray diffraction | A | NAG, MAN, YVS, ZN, CA, CL | — |
| 7G2F | Crystal Structure of rat Autotaxin in complex with 4-[4-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(tri… | x-ray diffraction | A | NAG, MAN, XQW, CL, K, ZN | 13 (best 0.77) |
| 7G2I | Crystal Structure of rat Autotaxin in complex with 3-fluoro-4-[2-[1-[3-[2-[(5-methyltetrazol-2-yl)me… | x-ray diffraction | A | NAG, MAN, SO4, CA, CL, ZN | 13 (best 0.77) |
| 7G2O | Crystal Structure of rat Autotaxin in complex with [2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridin-4-yl]… | x-ray diffraction | A | NAG, MAN, XW9, K, CL, ZN | — |
| 7G2Y | Crystal Structure of rat Autotaxin in complex with 2-[(R)-2-[1-[3-[2-[(5-methyltetrazol-2-yl)methyl]… | x-ray diffraction | A | NAG, MAN, CA, K, XH0, CL | 14 (best 0.77) |
| 7G30 | Crystal Structure of rat Autotaxin in complex with 3-fluoro-4-[[1-[3-[2-[(5-methyltetrazol-2-yl)meth… | x-ray diffraction | A | NAG, MAN, CL, K, XDB, ZN | 12 (best 0.78) |
| 7G31 | Crystal Structure of rat Autotaxin in complex with (3S)-3-(3-bromophenyl)-3-[[2-[2-[(3,3-difluoroaze… | x-ray diffraction | A | NAG, MAN, XEX, BR, ZN, NA | 15 (best 0.76) |
| 7G32 | Crystal Structure of rat Autotaxin in complex with [4-(trifluoromethoxy)phenyl]methyl… | x-ray diffraction | A | NAG, MAN, CA, XRN, ZN, NA | — |
| 7G37 | Crystal Structure of rat Autotaxin in complex with 1H-benzotriazol-5-yl-[rac-(1R,2S,6R,7S)-9-[5-chlo… | x-ray diffraction | A | NAG, MAN, Y0Q, K, ZN, NA | 13 (best 0.77) |
| 7G38 | Crystal Structure of rat Autotaxin in complex with 3-[3-[[(4-bromophenyl)methylamino]methyl]indol-1… | x-ray diffraction | A | NAG, MAN, XRT, ZN, NA, CA | 14 (best 0.77) |
| 7G3D | Crystal Structure of rat Autotaxin in complex with 4-tert-butyl-2-chloro-5-(1H-pyrazolo[3,4-b]pyridi… | x-ray diffraction | A | NAG, MAN, XLL, SO4, CA, CL | 12 (best 0.77) |
| 7G3I | Crystal Structure of rat Autotaxin in complex with (6-methylsulfonyl-1,6-diazaspiro[3.3]heptan-1-yl)… | x-ray diffraction | A | NAG, MAN, XET, ZN, NA, CA | 13 (best 0.77) |
| 7G3M | Crystal Structure of rat Autotaxin in complex with 2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]… | x-ray diffraction | A | NAG, MAN, ZN, CA, NA, K | 13 (best 0.76) |
| 7G3U | Crystal Structure of rat Autotaxin in complex with 5-tert-butyl-2-chloro-4-[[1-methyl-5-[5-(oxetan-3… | x-ray diffraction | A | NAG, MAN, ZN, NA, CA, K | 12 (best 0.77) |
| 7G3W | Crystal Structure of rat Autotaxin in complex with N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3… | x-ray diffraction | A | NAG, MAN, Y9V, CA, K, ZN | 12 (best 0.77) |
| 7G42 | Crystal Structure of rat Autotaxin in complex with 4-[[6-chloro-2-[3-(1H-imidazol-5-yl)propanoyl]-3… | x-ray diffraction | A | NAG, MAN, Y23, CA, CL, ZN | 13 (best 0.80) |
| 7G47 | Crystal Structure of rat Autotaxin in complex with 3-[4-(cyclopropylmethoxy)naphthalen-2-yl]-4-methy… | x-ray diffraction | A | NAG, MAN, XSQ, ZN, NA, CA | 15 (best 0.77) |
| 7G48 | Crystal Structure of rat Autotaxin in complex with [(3aS,6aS)-5-(4-methoxynaphthalene-2-carbonyl)-1… | x-ray diffraction | A | NAG, MAN, YP9, CA, ZN, NA | 12 (best 0.78) |
| 7G4G | Crystal Structure of rat Autotaxin in complex with 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydro… | x-ray diffraction | A | NAG, MAN, YNN, ZN, K, CA | 14 (best 0.72) |
| 7G4H | Crystal Structure of rat Autotaxin in complex with [2-methyl-4-(trifluoromethoxy)phenyl]methyl… | x-ray diffraction | A | NAG, MAN, YNB, ZN, NA, CA | 14 (best 0.77) |
| 7G4K | Crystal Structure of rat Autotaxin in complex with 5-(4-chlorophenyl)-2-(5,6-dimethoxybenzimidazol-1… | x-ray diffraction | A | NAG, MAN, XJK, ZN, NA, CA | 12 (best 0.77) |
| 7G4M | Crystal Structure of rat Autotaxin in complex with N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)… | x-ray diffraction | A | NAG, MAN, Y7O, ZN, NA, CA | 12 (best 0.76) |
| 7G4O | Crystal Structure of rat Autotaxin in complex with [3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutyl]… | x-ray diffraction | A | NAG, MAN, Y3W, ZN, NA, CA | 14 (best 0.79) |
| 7G4S | Crystal Structure of rat Autotaxin in complex with 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)… | x-ray diffraction | A | NAG, MAN, YAB, ZIF, ZN, NA | 12 (best 0.77) |
| 7G4T | Crystal Structure of rat Autotaxin in complex with (6-bromonaphthalen-2-yl)-[rac-(1R,2R,6S,7S)-9-(1H… | x-ray diffraction | A | NAG, MAN, YA8, ZN, CA, CL | 11 (best 0.77) |
| 7G4W | Crystal Structure of rat Autotaxin in complex with (6-chloro-9H-carbazol-2-yl)-[(1R,2S,6R,7S)-4,9-di… | x-ray diffraction | A | NAG, MAN, YEH, ZN, NA, K | 13 (best 0.77) |
| 7G4X | Crystal Structure of rat Autotaxin in complex with N'-(4-butylphenyl)-N-[2-[4-(4-methylphenyl)sulfon… | x-ray diffraction | A | NAG, MAN, Y4C, ZN, NA, CA | 11 (best 0.78) |
| 7G4Y | Crystal Structure of rat Autotaxin in complex with 1H-benzotriazol-5-yl-[rac-(1R,2S,6R,7S)-9-[4-prop… | x-ray diffraction | A | NAG, MAN, YDE, ZN, NA, CA | 12 (best 0.77) |
| 7G50 | Crystal Structure of rat Autotaxin in complex with 3-[[2-methylsulfanyl-5-(2,4,6-trichlorobenzoyl)ph… | x-ray diffraction | A | NAG, MAN, XVQ, K, ZN, CA | 12 (best 0.77) |
33 records more on the page itself.
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 83 records
- ZN · Zinc ion · in 83 records
- CA · Calcium ion · in 79 records
- MAN · alpha-D-mannopyranose · in 74 records
- NA · Sodium ion · in 68 records
- CL · Chloride ion · in 48 records
- K · Potassium ion · in 27 records
- IOD · Iodide ion · in 16 records
- SCN · Thiocyanate ion · in 14 records
- SO4 · Sulfate ion · in 8 records
- 5JK · 7alpha-hydroxycholesterol · in 6 records
- 6ZO · (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate · in 4 records
- 6ZM · 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one · in 2 records
- 6ZN · 6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one · in 2 records
- 7C8 · [3,5-bis(chloranyl)phenyl]methyl 4-[(4~{R})-4-[(3~{R}, 5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11, 12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate · in 2 records
- 7CF · [3,5-bis(chloranyl)phenyl]methyl (3~{R})-3-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S}, 17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7, 8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate · in 2 records
- 7CW · [3,5-bis(chloranyl)phenyl]methyl ~{N}-[2-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S}, 17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7, 8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate · in 2 records
- NKP · (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate · in 2 records
- PO4 · Phosphate ion · in 2 records
- YV1 · (3,5-dichlorophenyl)methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate · in 2 records
- 4I0 · 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile · in 1 record
- 5D5 · 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid · in 1 record
- 5K9 · (9~{R},10~{a}~{S})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol · in 1 record
- 72P · 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl) sulfanylbenzoic acid · in 1 record
- 7CR · [3,5-bis(chloranyl)phenyl]methyl 4-[(3~{R})-3-oxidanyl-3-(2-oxidanylidene-3~{H}-1,3-benzoxazol-6-yl) propyl]piperazine-1-carboxylate · in 1 record
- 7NB · 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile · in 1 record
- BR · Bromide ion · in 1 record
- XDB · 3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}sulfanyl)benzene-1-sulfonamide · in 1 record
- XET · [6-(methanesulfonyl)-1,6-diazaspiro[3.3]heptan-1-yl][2-({[3-(propan-2-yl)-5-(trifluoromethoxy)phenyl]methyl}amino)pyrimidin-5-yl]methanone · in 1 record
- XEX · (3R)-3-(3-bromophenyl)-3-(2-{2-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxyphenoxy}acetamido)-N-methylpropanamide · in 1 record
Experiment against prediction
- 5M0S chain A against the predicted model Q64610: TM-score 1.00, RMSD 0.66 Å
- 5M0S chain A against the predicted model Q64610: TM-score 1.00, RMSD 0.66 Å
- 5M0E chain A against the predicted model Q64610: TM-score 1.00, RMSD 0.67 Å
- 5M0D chain A against the predicted model Q64610: TM-score 1.00, RMSD 0.67 Å
- 5M0D chain A against the predicted model Q64610: TM-score 1.00, RMSD 0.67 Å
- 7P0K chain AAA against the predicted model Q64610: TM-score 1.00, RMSD 0.67 Å
- 5M0M chain A against the predicted model Q64610: TM-score 1.00, RMSD 0.69 Å
- 5M0M chain A against the predicted model Q64610: TM-score 1.00, RMSD 0.69 Å
- 7P4O chain A against the predicted model Q64610: TM-score 1.00, RMSD 0.68 Å
- 5LQQ chain A against the predicted model Q64610: TM-score 0.99, RMSD 0.72 Å
Elsewhere
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