UniProt Q15047
Histone-lysine N-methyltransferase SETDB1 (Q15047)
Histone-lysine N-methyltransferase SETDB1 (UniProt Q15047), EC 2.1.1.-, 2.1.1.43: 35 experimental structures on GenesisL1, 19 ligands bound, 23 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- Q15047
- Protein
- Histone-lysine N-methyltransferase SETDB1
- EC
- 2.1.1.-, 2.1.1.43
- Experimental structures
- 35
- Predicted models
- 0
- Ligands
- 19
- Pockets
- 23 · 6 records with a druggable one
Structures
35 records of Q15047 in the MolNFT archive: 35 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3DLM | Crystal structure of Tudor domain of human Histone-lysine N-methyltransferase SETDB1 | x-ray diffraction | A | — | — |
| 3DLM | Crystal structure of tudor domain of human histone-lysine N- methyltransferase SETDB1 | x-ray diffraction | A | — | — |
| 5KCH | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced… | x-ray diffraction | A | UNX, SO4, 6RN | 3 (best 0.57) |
| 5KCH | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced… | x-ray diffraction | A | UNX, SO4, 6RN | — |
| 5KCO | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy | x-ray diffraction | A | SO4, 6RO, UNX | — |
| 5KE2 | Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A | x-ray diffraction | A | 6S4, SO4, UNX | — |
| 5KE2 | Crystal structure of SETDB1 tudor domain in complex with inhibitor XST06472A | x-ray diffraction | A | 6S4, SO4, UNX | — |
| 5KE3 | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a | x-ray diffraction | A | 6S5, SO4, UNX | 2 (best 0.51) |
| 5KE3 | Crystal structure of SETDB1 tudor domain in complex with fragment MRT0181A | x-ray diffraction | A | 6S5, SO4, UNX | — |
| 5KH6 | SETDB1 in complex with a fragment candidate | x-ray diffraction | A | SO4, CL, 6SU | 2 (best 0.55) |
| 5KH6 | SETDB1 in complex with a fragment candidate | x-ray diffraction | A | SO4, CL, 6SU | — |
| 5QT1 | Pandda analysis group deposition -- partial occupancy interpretation of pandda event MAP: SETDB1 in… | x-ray diffraction | A | DSJ, UNX, SO4 | — |
| 5QT2 | PanDDA analysis group deposition -- Partial occupancy interpretation of PanDDA event map: SETDB1 in… | x-ray diffraction | A | AW7, UNX, SO4 | — |
| 5QT2 | Pandda analysis group deposition -- partial occupancy interpretation of pandda event MAP: SETDB1 in… | x-ray diffraction | A | AW7, UNX, SO4 | — |
| 6AU2 | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | x-ray diffraction | A | CGJ, SO4, UNX | 1 (best 0.55) |
| 6AU2 | Crystal structure of SETDB1 tudor domain with aryl triazole fragments | x-ray diffraction | A | CGJ, SO4, UNX | — |
| 6AU3 | Crystal structure of SETDB1 tudor domain with aryl triazole fragments | x-ray diffraction | A | BWM, SO4, UNX | — |
| 6BHD | Crystal structure of SETDB1 with a modified H3 peptide | x-ray diffraction | A | UNX, NA | — |
| 6BHD | Crystal structure of SETDB1 with a modified H3 peptide | x-ray diffraction | A | UNX, NA | — |
| 6BHE | Crystal structure of SETDB1 with a modified H3 peptide | x-ray diffraction | A | UNX | — |
| 6BHG | Crystal structure of SETDB1 with a modified H3 peptide | x-ray diffraction | A | UNX | — |
| 6BHG | Crystal structure of SETDB1 with a modified H3 peptide | x-ray diffraction | A | UNX | — |
| 6BHH | Crystal structure of SETDB1 with a modified H3 peptide | x-ray diffraction | A | SO4, UNX | — |
| 6BHI | Crystal structure of SETDB1 with a modified H3 peptide | x-ray diffraction | A | UNX | — |
| 6BHI | Crystal structure of SETDB1 with a modified H3 peptide | x-ray diffraction | A | UNX | — |
| 6BPI | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates | x-ray diffraction | A | SO4, UNX | — |
| 6BPI | Crystal structure of SETDB1 tudor domain with aryl triazole fragment peptide conjugates | x-ray diffraction | A | E2G, SO4, UNX | — |
| 7C9N | Crystal structure of SETDB1 tudor domain in complexed with Compound 1. | x-ray diffraction | B, A | FN9 | — |
| 7C9N | Crystal structure of SETDB1 tudor domain in complexed with compound 1. | x-ray diffraction | B, A | FN9 | — |
| 7CAJ | Crystal structure of SETDB1 tudor domain in complexed with compound 2. | x-ray diffraction | D, A | FNC | — |
| 7CD9 | Crystal structure of SETDB1 tudor domain in complexed with compound 6 | x-ray diffraction | A, B | FVR | — |
| 7CJT | Crystal Structure of SETDB1 Tudor domain in complexed with (R,R)-59 | x-ray diffraction | D, A, B, C | G09 | 13 (best 0.78) |
| 7CJT | Crystal structure of SETDB1 tudor domain in complexed with (R,R)-59 | x-ray diffraction | D, A, B, C | G09 | — |
| 9CUX | Crystal Structure of SETDB1 Tudor domain in complex with UNC100016 | x-ray diffraction | A | A1AZ5, SO4, UNX | 2 (best 0.57) |
| Q15047 | AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase SETDB1 (Q15047) | — | — | — |
Ligands
- UNX · Unknown atom or ion · in 24 records
- SO4 · Sulfate ion · in 19 records
- 6RN · 4-methoxy-N-[(pyridin-2-yl)methyl]aniline · in 2 records
- 6S4 · (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide · in 2 records
- 6S5 · (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide · in 2 records
- 6SU · methyl 3-(methylsulfonylamino)benzoate · in 2 records
- AW7 · 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine · in 2 records
- CGJ · 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine · in 2 records
- CL · Chloride ion · in 2 records
- FN9 · 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one · in 2 records
- G09 · 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl) piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one · in 2 records
- NA · Sodium ion · in 2 records
- 6RO · ~{N}-(4-chlorophenyl)methanesulfonamide · in 1 record
- A1AZ5 · (2E)-N-(4-{[6-(dimethylamino)hexyl]amino}-2-{[5-(dimethylamino)pentyl]amino}quinazolin-6-yl)but-2-enamide · in 1 record
- BWM · N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl) phenyl]methyl}acetamide · in 1 record
- DSJ · 1-(4-amino-2-hydroxyphenyl)ethan-1-one · in 1 record
- E2G · (2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide · in 1 record
- FNC · 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one · in 1 record
- FVR · 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one · in 1 record
Elsewhere
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