Structure of PDB 7yrd Chain K Binding Site BS03

Receptor Information
>7yrd Chain K (length=259) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQSRYVPSSGMSAKELCENDDLATSLVLDPYLGFQTHKMNTRQEELKEVI
ERFKKDEHLEKAFKCLTSGEWARHYFLNKNKMQEKLFKEHVFIYLRMFAT
DSGFEILPCNRYSSEQNGAKIVATKEWKRNDKIELLVGCIAELSEIEENM
LLRHGENDFSVMYSTRKNCAQLWLGPAAFINHDCRPNCKFVSTGRDTACV
KALRDIEPGEEISCYYGDGFFGENNEFCECYTCERRGTGAFKSKYGLRET
DKRLNRLKK
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 chain7yrd Chain K Residue 402 [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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PDB7yrd Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		H98 Y203 G209 A210 F250 A269 H273 Y307 F312 F318 E320
Binding residue
(residue number reindexed from 1)		H37 Y112 G118 A119 F159 A178 H182 Y216 F221 F227 E229
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:7yrd, PDBe:7yrd, PDBj:7yrd
PDBsum7yrd
PubMed37536340
UniProtQ4FZB7|KMT5B_HUMAN Histone-lysine N-methyltransferase KMT5B (Gene Name=KMT5B)

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