Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T56108 | Target Info | |||
| Target Name | Tripartite motif-containing 24 (TRIM24) | ||||
| Synonyms | Tripartite motif-containing protein 24; Transcription intermediary factor 1-alpha; TIF1A; TIF1-alpha; TIF1; RNF82; RING-type E3 ubiquitin transferase TIF1-alpha; RING finger protein 82; E3 ubiquitin-protein ligase TRIM24 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | TRIM24 | ||||
| Biochemical Class | Acyltransferase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b) | PDB:4YAD | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [1] |
| PDB Sequence |
PNEDWCAVCQ
833 NGGELLCCEK843 CPKVFHLSCH853 VPTLTNFPSG863 EWICTFCRDL873 SKPEVEYDCD 883 APKKKTEGLV898 KLTPIDKRKC908 ERLLLFLYCH918 EMSLAFQDPV928 PLTVPDYYKI 938 IKNPMDLSTI948 KKRLQEDYSM958 YSKPEDFVAD968 FRLIFQNCAE978 FNEPDSEVAN 988 AGIKLENYFE998 ELLKNLYP
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| Ligand Name: N-(1,3-Dimethyl-2-Oxo-6-{3-[(3s)-Tetrahydrofuran-3-Ylmethoxy]phenoxy}-2,3-Dihydro-1h-Benzimidazol-5-Yl)-1-Methyl-1h-Imidazole-4-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-2-oxo-6-[3-(oxolan-3-ylmethoxy)phenoxy]-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1-methyl-1H-imidazole-4-sulfonamide (7l) | PDB:4YBT | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [1] |
| PDB Sequence |
PNEDWCAVCQ
833 NGGELLCCEK843 CPKVFHLSCH853 VPTLTNFPSG863 EWICTFCRDL873 SKPEVEYDCD 883 APKKKTEGLV898 KLTPIDKRKC908 ERLLLFLYCH918 EMSLAFQDPV928 PLTVPDYYKI 938 IKNPMDLSTI948 KKRLQEDYSM958 YSKPEDFVAD968 FRLIFQNCAE978 FNEPDSEVAN 988 AGIKLENYFE998 ELLKNLYP
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| Ligand Name: N-(6-{3-[4-(Dimethylamino)butoxy]-5-Propoxyphenoxy}-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl)-3,4-Dimethoxybenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i) | PDB:4YC9 | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [1] |
| PDB Sequence |
SPNEDWCAVC
832 QNGGELLCCE842 KCPKVFHLSC852 HVPTLTNFPS862 GEWICTFCRD872 LSKPEVEYDC 882 DAPSKKKTEG896 LVKLTPIDKR906 KCERLLLFLY916 CHEMSLAFQD926 PVPLTVPDYY 936 KIIKNPMDLS946 TIKKRLQEDY956 SMYSKPEDFV966 ADFRLIFQNC976 AEFNEPDSEV 986 ANAGIKLENY996 FEELLKNLYP1006
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4C1 or .4C12 or .4C13 or :34C1;style chemicals stick;color identity;select .A:922 or .A:923 or .A:924 or .A:925 or .A:926 or .A:928 or .A:929 or .A:932 or .A:935 or .A:976 or .A:979 or .A:980 or .A:985 or .A:986 or .A:989; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-{1,3-Dimethyl-6-[3-(2-Methylpropoxy)phenoxy]-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl}-1,2-Dimethyl-1h-Imidazole-4-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide (7g) | PDB:4YBS | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [1] |
| PDB Sequence |
PNEDWCAVCQ
833 NGGELLCCEK843 CPKVFHLSCH853 VPTLTNFPSG863 EWICTFCRDL873 SKPEVEYDCD 883 APKKKTEGLV898 KLTPIDKRKC908 ERLLLFLYCH918 EMSLAFQDPV928 PLTVPDYYKI 938 IKNPMDLSTI948 KKRLQEDYSM958 YSKPEDFVAD968 FRLIFQNCAE978 FNEPDSEVAN 988 AGIKLENYFE998 ELLKNLYP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4BK or .4BK2 or .4BK3 or :34BK;style chemicals stick;color identity;select .A:922 or .A:923 or .A:924 or .A:928 or .A:929 or .A:932 or .A:935 or .A:976 or .A:979 or .A:980 or .A:985 or .A:986 or .A:989; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Methyl-5-(2-Methyl-1,3-Thiazol-4-Yl)-1,3-Dihydro-2h-Indol-2-One | Ligand Info | |||||
| Structure Description | Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1) | PDB:4YAB | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
SPNEDWCAVC
832 QNGGELLCCE842 KCPKVFHLSC852 HVPTLTNFPS862 GEWICTFCRD872 LSKPEVEYDC 882 DAKKKTEGLV898 KLTPIDKRKC908 ERLLLFLYCH918 EMSLAFQDPV928 PLTVPDYYKI 938 IKNPMDLSTI948 KKRLQEDYSM958 YSKPEDFVAD968 FRLIFQNCAE978 FNEPDSEVAN 988 AGIKLENYFE998 ELLKNLYP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4CN or .4CN2 or .4CN3 or :34CN;style chemicals stick;color identity;select .A:923 or .A:924 or .A:928 or .A:929 or .A:932 or .A:935 or .A:976 or .A:979 or .A:980 or .A:986; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N6-Acetyl-L-lysine | Ligand Info | |||||
| Structure Description | Crystal structure of TRIM24 PHD-Bromo complexed with H3(13-32)K23ac peptide | PDB:3O34 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
EDWCAVCQNG
835 GELLCCEKCP845 KVFHLSCHVP855 TLTNFPSGEW865 ICTFCRDLSK875 PEVEYDCDAP 885 SHKKTEGLVK899 LTPIDKRKCE909 RLLLFLYCHE919 MSLAFQDPVP929 LTVPDYYKII 939 KNPMDLSTIK949 KRLQEDYSMY959 SKPEDFVADF969 RLIFQNCAEF979 NEPDSEVANA 989 GIKLENYFEE999 LLKNLYP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ALY or .ALY2 or .ALY3 or :3ALY;style chemicals stick;color identity;select .A:923 or .A:924 or .A:928 or .A:932 or .A:935 or .A:976 or .A:979 or .A:980 or .A:986; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of TRIM24 PHD-bromodomain complexed with N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-4-methoxybenzene-1-sulfonamide (5b) | PDB:4YAT | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [1] |
| PDB Sequence |
PNEDWCAVCQ
833 NGGELLCCEK843 CPKVFHLSCH853 VPTLTNFPSG863 EWICTFCRDL873 SKPEVEYDKK 892 KTEGLVKLTP902 IDKRKCERLL912 LFLYCHEMSL922 AFQDPVPLTV932 PDYYKIIKNP 942 MDLSTIKKRL952 QEDSMYSKPE963 DFVADFRLIF973 QNCAEFNEPD983 SEVANAGIKL 993 ENYFEELLKN1003 LYP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4A8 or .4A82 or .4A83 or :34A8;style chemicals stick;color identity;select .A:922 or .A:923 or .A:924 or .A:927 or .A:928 or .A:929 or .A:932 or .A:935 or .A:976 or .A:979 or .A:980 or .A:986; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g) | PDB:4YAX | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [1] |
| PDB Sequence |
SPNEDWCAVC
832 QNGGELLCCE842 KCPKVFHLSC852 HVPTLTNFPS862 GEWICTFCRD872 LSKPEVEYDC 882 DAPSKKKTEG896 LVKLTPIDKR906 KCERLLLFLY916 CHEMSLAFQD926 PVPLTVPDYY 936 KIIKNPMDLS946 TIKKRLQEDY956 SMYSKPEDFV966 ADFRLIFQNC976 AEFNEPDSEV 986 ANAGIKLENY996 FEELLKNLYP1006
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4AE or .4AE2 or .4AE3 or :34AE;style chemicals stick;color identity;select .A:922 or .A:923 or .A:924 or .A:928 or .A:929 or .A:932 or .A:935 or .A:976 or .A:979 or .A:980 or .A:986; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Amino-1,3-benzothiazole-6-carboxamide | Ligand Info | |||||
| Structure Description | Complex structure of TRIM24 PHD-bromodomain and inhibitor 2 | PDB:5H1U | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [3] |
| PDB Sequence |
DWCAVCQNGG
836 ELLCCEKCPK846 VFHLSCHVPT856 LTNFPSGEWI866 CTFCRDLSKP876 EVEYDCDAPK 892 KTEGLVKLTP902 IDKRKCERLL912 LFLYCHEMSL922 AFQDPVPLTV932 PDYYKIIKNP 942 MDLSTIKKRL952 QEDYSMYSKP962 EDFVADFRLI972 FQNCAEFNEP982 DSEVANAGIK 992 LENYFEELLK1002 NLYP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6KT or .6KT2 or .6KT3 or :36KT;style chemicals stick;color identity;select .B:923 or .B:924 or .B:928 or .B:929 or .B:932 or .B:935 or .B:976 or .B:979 or .B:980 or .B:986; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: methyl 6-amino-3,4-dihydroquinoline-1(2H)-carboxylate | Ligand Info | |||||
| Structure Description | Complex structure of TRIM24 PHD-bromodomain and inhibitor 1 | PDB:5H1T | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [3] |
| PDB Sequence |
NEDWCAVCQN
834 GGELLCCEKC844 PKVFHLSCHV854 PTLTNFPSGE864 WICTFCRDLS874 KPEVEYDKKT 894 EGLVKLTPID904 KRKCERLLLF914 LYCHEMSLAF924 QDPVPLTVPD934 YYKIIKNPMD 944 LSTIKKRLQE954 DYSMYSKPED964 FVADFRLIFQ974 NCAEFNEPDS984 EVANAGIKLE 994 NYFEELLKNL1004 YP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7FF or .7FF2 or .7FF3 or :37FF;style chemicals stick;color identity;select .A:923 or .A:924 or .A:928 or .A:929 or .A:932 or .A:935 or .A:976 or .A:979 or .A:980 or .A:986; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide | Ligand Info | |||||
| Structure Description | Complex structure of TRIM24 PHD-bromodomain and inhibitor 6 | PDB:5H1V | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
NEDWCAVCQN
834 GGELLCCEKC844 PKVFHLSCHV854 PTLTNFPSGE864 WICTFCRDLS874 KPEVEYKKTE 895 GLVKLTPIDK905 RKCERLLLFL915 YCHEMSLAFQ925 DPVPLTVPDY935 YKIIKNPMDL 945 STIKKRLQES957 MYSKPEDFVA967 DFRLIFQNCA977 EFNEPDSEVA987 NAGIKLENYF 997 EELLKNLYP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7FU or .7FU2 or .7FU3 or :37FU;style chemicals stick;color identity;select .A:923 or .A:924 or .A:928 or .A:929 or .A:932 or .A:935 or .A:943 or .A:972 or .A:975 or .A:976 or .A:979 or .A:980 or .A:986; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571 | PDB:7B9X | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [4] |
| PDB Sequence |
TPIDKRKCER
910 LLLFLYCHEM920 SLAFQDPVPL930 TVPDYYKIIK940 NPMDLSTIKK950 RLQEDYSMYS 960 KPEDFVADFR970 LIFQNCAEFN980 EPDSEVANAG990 IKLENYFEEL1000 LKNLYP |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T52 or .T522 or .T523 or :3T52;style chemicals stick;color identity;select .A:919 or .A:920 or .A:922 or .A:923 or .A:924 or .A:926 or .A:927 or .A:928 or .A:929 or .A:931 or .A:932 or .A:935 or .A:975 or .A:976 or .A:979 or .A:980 or .A:985 or .A:986 or .A:987 or .A:989 or .A:990; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU919
4.227
MET920
2.787
LEU922
2.218
ALA923
2.615
PHE924
3.722
ASP926
1.490
PRO927
3.722
VAL928
1.712
PRO929
2.291
THR931
1.860
VAL932
2.912
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J Med Chem. 2016 Feb 25;59(4):1440-54. | ||||
| REF 2 | TRIM24 links a non-canonical histone signature to breast cancer. Nature. 2010 Dec 16;468(7326):927-32. | ||||
| REF 3 | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network. FEBS J. 2017 Apr;284(7):1082-1095. | ||||
| REF 4 | NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24. J Med Chem. 2022 Apr 14;65(7):5565-5574. | ||||
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