Structure of PDB 8t9f Chain K Binding Site BS01

Receptor Information
>8t9f Chain K (length=264) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSAKELCENDDLATSLVLDPYLGFQTHKMNTRQEELKEVIERFKKDEHLE
KAFKCLTSGEWARHYFLNKNKMQEKLFKEHVFIYLRMFATDSGFEILPCN
RYSSEQNGAKIVATKEWKRNDKIELLVGCIAELSEIEENMLLRHGENDFS
VMYSTRKNCAQLWLGPAAFINHDCRPNCKFVSTGRDTACVKALRDIEPGE
EISCYYGDGFFGENNEFCECYTCERRGTGAFKSINSKYGLRETDKRLNRL
KKLGDSSKNSDSQS
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain8t9f Chain K Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8t9f Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H98 Y203 F250 A269 F270 N272 H273 Y307 F312 E320
Binding residue
(residue number reindexed from 1)		H27 Y102 F149 A168 F169 N171 H172 Y206 F211 E219
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.361: [histone H4]-lysine(20) N-methyltransferase.
2.1.1.362: [histone H4]-N-methyl-L-lysine(20) N-methyltransferase.
Gene Ontology
Molecular Function
GO:0042799 histone H4K20 methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:8t9f, PDBe:8t9f, PDBj:8t9f
PDBsum8t9f
PubMed37595555
UniProtQ4FZB7|KMT5B_HUMAN Histone-lysine N-methyltransferase KMT5B (Gene Name=KMT5B)

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