UniProt Q92918
Mitogen-activated protein kinase kinase kinase kinase 1 (Q92918)
Mitogen-activated protein kinase kinase kinase kinase 1 (UniProt Q92918), EC 2.7.11.1: 54 experimental structures and 1 predicted model on GenesisL1, 37 ligands bound, 236 pockets. Binding sites, druggability and experiment…
- UniProt
- Q92918
- Protein
- Mitogen-activated protein kinase kinase kinase kinase 1
- EC
- 2.7.11.1
- Experimental structures
- 54
- Predicted models
- 1
- Ligands
- 37
- Pockets
- 236 · 36 records with a druggable one
Structures
55 records of Q92918 in the MolNFT archive: 54 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6CQD | Crystal structure of HPK1 in complex with ATP analogue (AMPPNP) | x-ray diffraction | A, B | ANP, MG | 3 (best 0.79) |
| 6CQD | Crystal structure of HPK1 in complex with ATP analogue (amppnp) | x-ray diffraction | A, B | ANP, MG | — |
| 6CQE | Crystal structure of HPK1 kinase domain S171A mutant | x-ray diffraction | A, B | — | 3 (best 0.86) |
| 6CQE | Crystal structure of HPK1 kinase domain S171A mutant | x-ray diffraction | A, B | — | — |
| 6CQF | Crystal structure of HPK1 in complex an inhibitor G1858 | x-ray diffraction | A | F97 | 3 (best 0.66) |
| 6CQF | Crystal structure of HPK1 in complex an inhibitor G1858 | x-ray diffraction | A | F97 | — |
| 6NFY | Crystal structure of nonphosphorylated, HPK1 kinase domain in complex with sunitinib in the… | x-ray diffraction | A, B | B49 | 7 (best 0.81) |
| 6NFY | Crystal structure of nonphosphorylated, HPK1 kinase domain in complex with sunitinib in the… | x-ray diffraction | A, B | B49 | — |
| 6NFZ | Crystal structure of diphosphorylated HPK1 kinase domain in complex with sunitinib in the active… | x-ray diffraction | A, B | B49 | 3 (best 0.72) |
| 6NFZ | Crystal structure of diphosphorylated HPK1 kinase domain in complex with sunitinib in the active… | x-ray diffraction | A, B | B49 | — |
| 6NG0 | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with sunitinib… | x-ray diffraction | A, B | B49 | — |
| 6NG0 | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with sunitinib… | x-ray diffraction | A, B | B49 | — |
| 7KAC | Crystal structure of HPK1 (MAP4K1) kinase in complex with… | x-ray diffraction | A, B | W9D | 6 (best 0.68) |
| 7KAC | Crystal structure of HPK1 (MAP4K1) kinase in complex with 5-{[4… | x-ray diffraction | A, B | W9D | — |
| 7L24 | HPK1 in complex with compound 11 | x-ray diffraction | A, B, C, D | XHV | 14 (best 0.79) |
| 7L24 | HPK1 in complex with compound 11 | x-ray diffraction | A, B, C, D | XHV | — |
| 7L25 | HPK1 in complex with compound 18 | x-ray diffraction | A, B | XHS | 6 (best 0.79) |
| 7L25 | HPK1 in complex with compound 18 | x-ray diffraction | A, B | XHS | — |
| 7L26 | HPK1 in complex with compound 38 | x-ray diffraction | A, B, C, D | XHM | 7 (best 0.78) |
| 7L26 | HPK1 in complex with compound 38 | x-ray diffraction | A, B, C, D | XHM | — |
| 7M0K | HPK1 in complex with compound 1 | x-ray diffraction | A, B, C, D | YK7 | 9 (best 0.84) |
| 7M0K | HPK1 in complex with compound 1 | x-ray diffraction | A, B, C, D | YK7 | — |
| 7M0L | HPK1 in complex with compound 1 | x-ray diffraction | A, B, C, D | YK4 | 11 (best 0.83) |
| 7M0L | HPK1 in complex with compound 1 | x-ray diffraction | A, B, C, D | YK4 | — |
| 7M0M | HPK1 in complex with compound 1 | x-ray diffraction | A, B | YK1 | 6 (best 0.79) |
| 7M0M | HPK1 in complex with compound 1 | x-ray diffraction | A, B | YK1 | — |
| 7R9L | Crystal structure of HPK1 in complex with compound 2 | x-ray diffraction | A | 2YE | 2 (best 0.61) |
| 7R9L | Crystal structure of HPK1 in complex with compound 2 | x-ray diffraction | A | 2YE | — |
| 7R9N | Crystal structure of HPK1 in complex with GNE1858 | x-ray diffraction | A, B | F97 | 5 (best 0.77) |
| 7R9N | Crystal structure of HPK1 in complex with GNE1858 | x-ray diffraction | A, B | F97 | — |
| 7R9P | Crystal structure of HPK1 in complex with compound 14 | x-ray diffraction | A, B | 2WI, SO4 | 7 (best 0.77) |
| 7R9P | Crystal structure of HPK1 in complex with compound 14 | x-ray diffraction | A, B | 2WI, SO4 | — |
| 7R9T | Crystal structure of HPK1 in complex with compound 17 | x-ray diffraction | A, B | 2TR | 5 (best 0.75) |
| 7R9T | Crystal structure of HPK1 in complex with compound 17 | x-ray diffraction | A, B | 2TR | — |
| 7SIU | Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745 | x-ray diffraction | A, B | 9ID, SO4 | 3 (best 0.86) |
| 7SIU | Crystal structure of HPK1 (MAP4K1) complex with inhibitor a-745 | x-ray diffraction | A, B | 9ID, SO4 | — |
| 8CDW | CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH… | x-ray diffraction | A, B | UES | 2 (best 0.84) |
| 8CIJ | CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH… | x-ray diffraction | A | USF | 1 (best 0.72) |
| 8EEC | Crystal structure of HPK1 citron-homology domain | x-ray diffraction | A | PO4 | 3 (best 0.71) |
| 8FH4 | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with… | x-ray diffraction | A, B, C, D | XXF, SO4 | 14 (best 0.82) |
| 8FJZ | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with… | x-ray diffraction | A, B, C, D, E, F | Y3I | 19 (best 0.79) |
| 8FKO | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with… | x-ray diffraction | A, B, C, D, E, F | Y3O | 20 (best 0.79) |
| 8PAR | Crystal structure of human MAP4K1 with an inhibitor, BAY-405 | x-ray diffraction | A | XON | 3 (best 0.70) |
| 8PAS | Crystal structure of MAP4K1 with a SMOL inhibitor | x-ray diffraction | A, B | XOH | 5 (best 0.62) |
| 8PAU | Crystal structure of MAP4K1 with a SMOL inhibitor | x-ray diffraction | A, B | XOR | 2 (best 0.79) |
| 8XN7 | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound… | x-ray diffraction | A, B | A1LVT | 5 (best 0.85) |
| 9BI8 | Crystal structure of inhibitor GNE-6893 bound to HPK1 | x-ray diffraction | A, B | A1APL, NA | 2 (best 0.80) |
| 9BIK | Crystal structure of inhibitor 1 bound to HPK1 | x-ray diffraction | A, B | A1APO | 4 (best 0.74) |
| 9BJ1 | Crystal structure of inhibitor GNE-6893 bound to HPK1 | x-ray diffraction | A, B | A1APR, NA, A1APQ | 5 (best 0.77) |
| 9CZT | HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 6 | x-ray diffraction | A, B | A1A1E | 5 (best 0.81) |
| 9CZU | HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9 | x-ray diffraction | A, B, C, D | SO4, A1A1D | 12 (best 0.78) |
| 9CZW | HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 13 | x-ray diffraction | A, B | A1A1C | 7 (best 0.80) |
| 9CZX | HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 21 | x-ray diffraction | A, B | A1A1B, CL | 4 (best 0.81) |
| 9D00 | HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 53 | x-ray diffraction | A, B, C, D | A1A1A | 12 (best 0.79) |
| Q92918 | AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase kinase 1… | predicted | A | — | 11 (best 0.78) |
Ligands
- B49 · N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide · in 6 records
- SO4 · Sulfate ion · in 6 records
- F97 · N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine · in 4 records
- 2TR · 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide · in 2 records
- 2WI · 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide · in 2 records
- 2YE · 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl) benzamide · in 2 records
- 9ID · 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide · in 2 records
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 2 records
- MG · Magnesium ion · in 2 records
- NA · Sodium ion · in 2 records
- W9D · 5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one · in 2 records
- XHM · 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile · in 2 records
- XHS · 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine · in 2 records
- XHV · 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine · in 2 records
- YK1 · 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl) amino]pyrimidine-5-carboxamide · in 2 records
- YK4 · 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide · in 2 records
- YK7 · 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide · in 2 records
- A1A1A · 4-[(1R)-1-aminopropyl]-6-methoxy-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one · in 1 record
- A1A1B · 4-[(1R)-1-aminopropyl]-2-{6-[(4S,5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-yl}-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one · in 1 record
- A1A1C · 6-(dimethylamino)-4-[(methylamino)methyl]-2-[6-(4-propyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one · in 1 record
- A1A1D · 6-methoxy-4-[(methylamino)methyl]-2-(6-{4-[(2S)-4,4,4-trifluorobutan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one · in 1 record
- A1A1E · 4-(aminomethyl)-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one · in 1 record
- A1APL · (3R,4S)-4-methyloxolan-3-yl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate · in 1 record
- A1APO · (1S,2S)-N-[(6P)-8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide · in 1 record
- A1APQ · (4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide · in 1 record
- A1APR · (9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one · in 1 record
- A1LVT · 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one · in 1 record
- CL · Chloride ion · in 1 record
- PO4 · Phosphate ion · in 1 record
- UES · ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine · in 1 record
Experiment against prediction
- 7L25 chain B against the predicted model Q92918: TM-score 0.94, RMSD 1.73 Å
- 6NFZ chain B against the predicted model Q92918: TM-score 0.94, RMSD 1.40 Å
- 6NFZ chain B against the predicted model Q92918: TM-score 0.94, RMSD 1.40 Å
- 7L25 chain A against the predicted model Q92918: TM-score 0.94, RMSD 1.78 Å
- 8CIJ chain A against the predicted model Q92918: TM-score 0.94, RMSD 1.88 Å
- 6NFZ chain A against the predicted model Q92918: TM-score 0.93, RMSD 1.38 Å
- 6NFZ chain A against the predicted model Q92918: TM-score 0.93, RMSD 1.38 Å
- 8PAS chain A against the predicted model Q92918: TM-score 0.92, RMSD 1.51 Å
- 6NFY chain B against the predicted model Q92918: TM-score 0.92, RMSD 1.74 Å
- 6NFY chain B against the predicted model Q92918: TM-score 0.92, RMSD 1.74 Å
Elsewhere
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