UniProt Q86X55
Histone-arginine methyltransferase CARM1 (Q86X55)
Histone-arginine methyltransferase CARM1 (UniProt Q86X55), EC 2.1.1.-, 2.1.1.125: 55 experimental structures and 1 predicted model on GenesisL1, 27 ligands bound, 142 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q86X55
- Protein
- Histone-arginine methyltransferase CARM1
- EC
- 2.1.1.-, 2.1.1.125, 2.1.1.319
- Experimental structures
- 55
- Predicted models
- 1
- Ligands
- 27
- Pockets
- 142 · 21 records with a druggable one
Structures
56 records of Q86X55 in the MolNFT archive: 55 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2Y1W | Crystal structure of coactivator associated arginine methyltransferase 1 (CARM1) in complex with… | x-ray diffraction | A, B, C, D | — | — |
| 2Y1W | Crystal structure of coactivator associated arginine methyltransferase 1 (CARM1) in complex with… | x-ray diffraction | A, B, C, D | — | — |
| 2Y1X | Crystal structure of coactivator associated arginine methyltransferase 1 (CARM1) in complex with… | x-ray diffraction | A, B, C, D | — | — |
| 2Y1X | Crystal structure of coactivator associated arginine methyltransferase 1 (CARM1) in complex with… | x-ray diffraction | A, B, C, D | — | — |
| 4IKP | Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin | x-ray diffraction | A, B, C, D | — | — |
| 4IKP | Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin | x-ray diffraction | A, B, C, D | — | — |
| 5DWQ | Crystal structure of CARM1, sinefungin, and methylated H3 peptide (R17) | x-ray diffraction | A, B, C, D | SO4 | — |
| 5DWQ | Crystal structure of CARM1, sinefungin, and methylated H3 peptide (R17) | x-ray diffraction | A, B, C, D | — | — |
| 5DX0 | Crystal structure of CARM1, sinefungin, and H3 peptide (R17) | x-ray diffraction | A, B, C, D | SO4 | — |
| 5DX0 | Crystal structure of CARM1, sinefungin, and H3 peptide (R17) | x-ray diffraction | A, B, C, D | — | — |
| 5DX1 | Crystal structure of CARM1, sinefungin, and PABP1 peptide (R455) | x-ray diffraction | A, B, C, D | SFG | 11 (best 0.81) |
| 5DX1 | Crystal structure of CARM1, sinefungin, and PABP1 peptide (R455) | x-ray diffraction | A, B, C, D | — | — |
| 5DX8 | Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R455) | x-ray diffraction | A, B, C, D | — | — |
| 5DX8 | Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R455) | x-ray diffraction | A, B, C, D | — | — |
| 5DXA | Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R460) | x-ray diffraction | A, B, C, D | — | — |
| 5DXA | Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R460) | x-ray diffraction | A, B, C, D | — | — |
| 5DXJ | Crystal structure of CARM1 and sinefungin | x-ray diffraction | A, B, C, D | — | — |
| 5DXJ | Crystal structure of CARM1 and sinefungin | x-ray diffraction | A, B, C, D | — | — |
| 5U4X | Coactivator-associated arginine methyltransferase 1 with TP-064 | x-ray diffraction | A, B, C, D | SAH, 7VM, UNX | 9 (best 0.81) |
| 5U4X | Coactivator-associated arginine methyltransferase 1 with tp-064 | x-ray diffraction | A, B, C, D | 7VM, UNX | — |
| 6ARJ | Crystal structure of CARM1 with EPZ022302 and SAH | x-ray diffraction | A, B, C, D | SAH, BW4, SO4 | 9 (best 0.83) |
| 6ARJ | Crystal structure of CARM1 with EPZ022302 and sah | x-ray diffraction | A, B, C, D | BW4, SO4 | — |
| 6ARV | Crystal structure of CARM1 with Compound 2 and SAH | x-ray diffraction | A, B, C, D | SAH, BW7 | 8 (best 0.85) |
| 6ARV | Crystal structure of CARM1 with compound 2 and sah | x-ray diffraction | A, B, C, D | BW7 | — |
| 6D2L | Crystal structure of human CARM1 with (S)-SKI-72 | x-ray diffraction | A, B, C, D, E, F | FTG, SO4, UNX | 16 (best 0.76) |
| 6D2L | Crystal structure of human CARM1 with (S)-ski-72 | x-ray diffraction | A, B, C, D, E, F | FTG, SO4, UNX | — |
| 6DVR | Crystal structure of human CARM1 with (R)-SKI-72 | x-ray diffraction | A, B | HDG, P15, UNX | 4 (best 0.75) |
| 6DVR | Crystal structure of human CARM1 with (R)-ski-72 | x-ray diffraction | A, B | HDG, P15, UNX | — |
| 6IZQ | PRMT4 bound with a bicyclic compound | x-ray diffraction | A, B, C, D | XJ2 | — |
| 6IZQ | PRMT4 bound with a bicyclic compound | x-ray diffraction | A, B, C, D | XJ2 | — |
| 6S70 | Crystal structure of CARM1 in complex with inhibitor UM251 | x-ray diffraction | A, B, C, D | KYB | 9 (best 0.86) |
| 6S70 | Crystal structure of CARM1 in complex with inhibitor UM251 | x-ray diffraction | A, B, C, D | KYB | — |
| 6S71 | Crystal structure of CARM1 in complex with inhibitor WH5C | x-ray diffraction | A, B, C, D | KYE | 9 (best 0.81) |
| 6S71 | Crystal structure of CARM1 in complex with inhibitor WH5C | x-ray diffraction | A, B, C, D | KYE | — |
| 6S74 | Crystal structure of CARM1 in complex with inhibitor UM305 | x-ray diffraction | A, B, C, D | KY8 | 6 (best 0.86) |
| 6S74 | Crystal structure of CARM1 in complex with inhibitor UM305 | x-ray diffraction | A, B, C, D | KY8 | — |
| 6S77 | Crystal structure of CARM1 N265Y mutant in complex with inhibitor AA183 | x-ray diffraction | A, B, C, D | KXW | 8 (best 0.84) |
| 6S77 | Crystal structure of CARM1 N265Y mutant in complex with inhibitor AA183 | x-ray diffraction | A, B, C, D | KXW | — |
| 6S79 | Crystal structure of CARM1 in complex with inhibitor AA183 | x-ray diffraction | A, B, C, D | KXW | 7 (best 0.84) |
| 6S79 | Crystal structure of CARM1 in complex with inhibitor AA183 | x-ray diffraction | A, B, C, D | KXW | — |
| 6S7A | Crystal structure of CARM1 in complex with inhibitor AA175 | x-ray diffraction | A, B, C, D | KY5 | 8 (best 0.87) |
| 6S7A | Crystal structure of CARM1 in complex with inhibitor AA175 | x-ray diffraction | A, B, C, D | KY5 | — |
| 6S7B | Crystal structure of CARM1 in complex with inhibitor UM249 | x-ray diffraction | A, B, C, D | KYH | 8 (best 0.86) |
| 6S7B | Crystal structure of CARM1 in complex with inhibitor UM249 | x-ray diffraction | A, B, C, D | KYH | — |
| 6S7C | Crystal structure of CARM1 in complex with inhibitor UM079 | x-ray diffraction | A, B, C, D | KY2 | 9 (best 0.80) |
| 6S7C | Crystal structure of CARM1 in complex with inhibitor UM079 | x-ray diffraction | A, B, C, D | KY2 | — |
| 7FAI | CARM1 bound with compound 9 | x-ray diffraction | A, B, C, D | XJ3 | 8 (best 0.82) |
| 7FAI | CARM1 bound with compound 9 | x-ray diffraction | A, B, C, D | XJ3 | — |
| 7FAJ | CARM1 bound with compound 43 | x-ray diffraction | A, B, C, D | XJ4 | 5 (best 0.84) |
| 7FAJ | CARM1 bound with compound 43 | x-ray diffraction | A, B, C, D | XJ4 | — |
| 7U9I | Co-crystal structure of human CARM1 in complex with MT556 inhibitor | x-ray diffraction | A, B | 44T, UNX | 4 (best 0.74) |
| 8G2H | Crystal Structure of PRMT4 with Compound YD1113 | x-ray diffraction | A | YVU, NA, UNX | 1 (best 0.75) |
| 8G2I | Crystal Structure of PRMT4 with Compound YD1290 | x-ray diffraction | A | I0B, UNX | 1 (best 0.74) |
| 8SIG | Crystal Structure of PRMT4 with Compound YD1-288 | x-ray diffraction | A | GWU, NA, UNX | 1 (best 0.76) |
| 8SIH | Crystal Structure of PRMT4 with Compound YD1-289 | x-ray diffraction | A | I1K, CA | 1 (best 0.75) |
| Q86X55 | AlphaFold monomer V2.0 prediction for histone-arginine methyltransferase CARM1 (Q86X55) | predicted | A | — | — |
Ligands
- UNX · Unknown atom or ion · in 10 records
- SO4 · Sulfate ion · in 6 records
- KXW · (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid · in 4 records
- SAH · S-adenosyl-L-homocysteine · in 3 records
- 7VM · N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide · in 2 records
- BW4 · methyl 2-[2-{2-chloro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate · in 2 records
- BW7 · (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol · in 2 records
- FTG · (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl) ethyl]hexanamide · in 2 records
- HDG · (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl) ethyl]hexanamide (non-preferred name) · in 2 records
- KY2 · 1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl) amino]propyl]guanidine · in 2 records
- KY5 · (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino) propyl]amino]methyl]oxolane-3,4-diol · in 2 records
- KY8 · (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino) propyl]amino]methyl]oxolane-3,4-diol · in 2 records
- KYB · 1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl) amino]pentyl]guanidine · in 2 records
- KYE · (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid · in 2 records
- KYH · 1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl) amino]butyl]guanidine · in 2 records
- NA · Sodium ion · in 2 records
- P15 · 2,5,8,11,14,17-hexaoxanonadecan-19-ol · in 2 records
- XJ2 · (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol · in 2 records
- XJ3 · N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine · in 2 records
- XJ4 · N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine · in 2 records
- 44T · 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine · in 1 record
- CA · Calcium ion · in 1 record
- GWU · 5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine · in 1 record
- I0B · 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine · in 1 record
- I1K · 5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine · in 1 record
- SFG · Sinefungin · in 1 record
- YVU · 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine · in 1 record
Experiment against prediction
- 6S71 chain B against the predicted model Q86X55: TM-score 1.00, RMSD 0.27 Å
- 6S71 chain B against the predicted model Q86X55: TM-score 1.00, RMSD 0.27 Å
- 6S70 chain A against the predicted model Q86X55: TM-score 1.00, RMSD 0.28 Å
- 6S70 chain A against the predicted model Q86X55: TM-score 1.00, RMSD 0.28 Å
- 6S7A chain B against the predicted model Q86X55: TM-score 1.00, RMSD 0.29 Å
- 6S7A chain B against the predicted model Q86X55: TM-score 1.00, RMSD 0.29 Å
- 6IZQ chain A against the predicted model Q86X55: TM-score 1.00, RMSD 0.31 Å
- 6IZQ chain A against the predicted model Q86X55: TM-score 1.00, RMSD 0.31 Å
- 6S7C chain A against the predicted model Q86X55: TM-score 1.00, RMSD 0.35 Å
- 6S7C chain A against the predicted model Q86X55: TM-score 1.00, RMSD 0.35 Å
Elsewhere
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