UniProt Q9NQR1
N-lysine methyltransferase KMT5A (Q9NQR1)
N-lysine methyltransferase KMT5A (UniProt Q9NQR1), EC 2.1.1.-, 2.1.1.361: 31 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 26 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q9NQR1
- Protein
- N-lysine methyltransferase KMT5A
- EC
- 2.1.1.-, 2.1.1.361, 2.1.1.43
- Experimental structures
- 31
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 26 · 7 records with a druggable one
Structures
32 records of Q9NQR1 in the MolNFT archive: 31 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1ZKK | Crystal structure of hSET8 in ternary complex with H4 peptide (16-24) and AdoHcy | x-ray diffraction | A, B, C, D | SAH | 10 (best 0.74) |
| 1ZKK | Crystal structure of HSET8 in ternary complex with H4 peptide (16-24) and adohcy | x-ray diffraction | A, B, C, D | — | — |
| 3F9W | Structural Insights into Lysine Multiple Methylation by SET Domain Methyltransferases, SET8-Y334F /… | x-ray diffraction | A, B, C, D | — | — |
| 3F9W | Structural insights into lysine multiple methylation by set domain methyltransferases, SET8-Y334F /… | x-ray diffraction | A, B, C, D | — | — |
| 3F9X | Structural Insights into Lysine Multiple Methylation by SET Domain Methyltransferases, SET8-Y334F /… | x-ray diffraction | A, B, C, D | — | — |
| 3F9X | Structural insights into lysine multiple methylation by set domain methyltransferases, SET8-Y334F /… | x-ray diffraction | A, B, C, D | — | — |
| 3F9Y | Structural Insights into Lysine Multiple Methylation by SET Domain Methyltransferases, SET8-Y334F /… | x-ray diffraction | A, B | — | — |
| 3F9Y | Structural insights into lysine multiple methylation by set domain methyltransferases, SET8-Y334F /… | x-ray diffraction | A, B | — | — |
| 3F9Z | Structural Insights into Lysine Multiple Methylation by SET Domain Methyltransferases, SET8-Y245F /… | x-ray diffraction | A, B, C, D | — | — |
| 3F9Z | Structural insights into lysine multiple methylation by set domain methyltransferases, SET8-Y245F /… | x-ray diffraction | A, B, C, D | — | — |
| 4IJ8 | Crystal structure of the complex of SETD8 with SAM | x-ray diffraction | A, B | — | — |
| 4IJ8 | Crystal structure of the complex of SETD8 with SAM | x-ray diffraction | A, B | — | — |
| 5HQ2 | Structural model of Set8 histone H4 Lys20 methyltransferase bound to nucleosome core particle | x-ray diffraction | M | — | 1 (best 0.69) |
| 5HQ2 | Structural model of SET8 histone H4 LYS20 methyltransferase bound to nucleosome core particle | x-ray diffraction | M | — | — |
| 5T5G | Human SETD8 in complex with MS2177 | x-ray diffraction | A | UNX, 75P | — |
| 5TEG | Crystal structure of hSETD8 in complex with histone H4K20 norleucine mutant peptide and… | x-ray diffraction | A, B | SAM | 3 (best 0.49) |
| 5TEG | Crystal structure of HSETD8 in complex with histone H4K20 norleucine mutant peptide and… | x-ray diffraction | A, B | — | — |
| 5TH7 | Complex of SETD8 with MS453 | x-ray diffraction | A, B | 7BY, UNX | 2 (best 0.81) |
| 5TH7 | Complex of SETD8 with MS453 | x-ray diffraction | A, B | — | — |
| 5V2N | Crystal Structure of APO Human SETD8 | x-ray diffraction | A | — | 1 (best 0.40) |
| 5V2N | Crystal structure of apo human SETD8 | x-ray diffraction | A | — | — |
| 5W1Y | SETD8 in complex with a covalent inhibitor | x-ray diffraction | A, B | 9SV, UNX | 1 (best 0.85) |
| 5W1Y | SETD8 in complex with a covalent inhibitor | x-ray diffraction | A, B | 9SV, UNX | — |
| 6BOZ | Structure of human SETD8 in complex with covalent inhibitor MS4138 | x-ray diffraction | A, B | E1J | 3 (best 0.80) |
| 6BOZ | Structure of human SETD8 in complex with covalent inhibitor MS4138 | x-ray diffraction | A, B | E1J | — |
| 7D1Z | Cryo-EM structure of SET8-nucleosome complex | electron microscopy | K | — | 3 (best 0.74) |
| 7D1Z | Cryo-EM structure of SET8-nucleosome complex | electron microscopy | K | — | — |
| 7D20 | Cryo-EM structure of SET8-CENP-A-nucleosome complex | electron microscopy | K | — | — |
| 7D20 | Cryo-EM structure of SET8-cenp-a-nucleosome complex | electron microscopy | K | — | — |
| 7XPX | Cryo-EM structure of the histone methyltransferase SET8 bound to H4K20Ecx-nucleosome | electron microscopy | K | SAM | 2 (best 0.77) |
| 7XPX | Cryo-EM structure of the histone methyltransferase SET8 bound to H4K20ECX-nucleosome | electron microscopy | K | — | — |
| Q9NQR1 | AlphaFold monomer V2.0 prediction for N-lysine methyltransferase KMT5A (Q9NQR1) | predicted | A | — | — |
Ligands
- UNX · Unknown atom or ion · in 4 records
- 9SV · 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl) naphthalene-1,4-dione · in 2 records
- E1J · N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl) quinazolin-4-yl]amino}propyl)prop-2-enamide · in 2 records
- SAM · S-adenosylmethionine · in 2 records
- 75P · 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine · in 1 record
- 7BY · N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide · in 1 record
- SAH · S-adenosyl-L-homocysteine · in 1 record
Experiment against prediction
- 5TEG chain A against the predicted model Q9NQR1: TM-score 0.99, RMSD 0.45 Å
- 1ZKK chain B against the predicted model Q9NQR1: TM-score 0.99, RMSD 0.45 Å
- 1ZKK chain A against the predicted model Q9NQR1: TM-score 0.99, RMSD 0.54 Å
- 5TEG chain B against the predicted model Q9NQR1: TM-score 0.99, RMSD 0.54 Å
- 1ZKK chain D against the predicted model Q9NQR1: TM-score 0.99, RMSD 0.59 Å
- 5TEG chain A against the predicted model Q9NQR1: TM-score 0.99, RMSD 0.45 Å
- 1ZKK chain B against the predicted model Q9NQR1: TM-score 0.98, RMSD 0.45 Å
- 3F9Y chain A against the predicted model Q9NQR1: TM-score 0.98, RMSD 0.45 Å
- 3F9Y chain A against the predicted model Q9NQR1: TM-score 0.98, RMSD 0.45 Å
- 3F9Z chain B against the predicted model Q9NQR1: TM-score 0.98, RMSD 0.47 Å
Elsewhere
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