Structure of PDB 6bp4 Chain A Binding Site BS05

Receptor Information
>6bp4 Chain A (length=268) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYTHLSFYEKRELFRKKLREIEGPEVTLVNEVDDEPCPSLDFQFISQYRL
TQGVIPPDPNFQSGCNCSGCDLNNPSRCECLDDLDEPTHFAYDAQGRVRA
DTGAVIYECNSFCSCSMECPNRVVQRGRTLPLEIFKTKEKGWGVRSLRFA
PAGTFITCYLGEVITSAEAAKRDKITYLFDLDMFDDASEYTVDAQNYGDV
SRFFNHSCSPNIAIYSAVRNHGFRTIYDLAFFAIKDIQPLEELTFDYAGS
KLRRQCKCGSANCRGWLF
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 chain6bp4 Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bp4 Automethylation-induced conformational switch in Clr4 (Suv39h) maintains epigenetic stability.
Resolution2.7701 Å
Binding residue
(original residue number in PDB)		I379 N409 H410 R475 C477 K478 L488
Binding residue
(residue number reindexed from 1)		I175 N205 H206 R254 C256 K257 L267
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.355: [histone H3]-lysine(9) N-trimethyltransferase.
2.1.1.366: [histone H3]-N(6),N(6)-dimethyl-lysine(9) N-methyltransferase.
2.1.1.367: [histone H3]-lysine(9) N-methyltransferase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0042054 histone methyltransferase activity
GO:0046974 histone H3K9 methyltransferase activity
Cellular Component
GO:0005634 nucleus

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6bp4, PDBe:6bp4, PDBj:6bp4
PDBsum6bp4
PubMed30051891
UniProtO60016|CLR4_SCHPO Histone-lysine N-methyltransferase, H3 lysine-9 specific (Gene Name=clr4)

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