Structure of PDB 6z2a Chain A Binding Site BS05

Receptor Information
>6z2a Chain A (length=283) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSYTHLSFYEKRELFRKKLREIEGPEVTLVNEVDDEPCPSLDFQFISQYR
LTQGVIPPDPNAQSGCNCSSLGGCDLNNPSRCECLDDLDEPTHFAYDAQG
RVRADTGAVIYECNSACSCSMECPNRVVQRGRTLPLEIFKTKEKGWGVRS
LRFAPAGTFITCYLGEVITSAEAAKRDKNDDGITYLFDLDMFDDASEYTV
DAQNYGDVSRFFNHSCSPNIAIYSAVRNHGARTIYDLAFFAIKDIQPLEE
LTFDYAGAKDFSPVQLRRQCKCGSANCRGWLFG
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain6z2a Chain A Residue 505 [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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PDB6z2a SUV39 SET domains mediate crosstalk of heterochromatic histone marks.
Resolution2.456 Å
Binding residue
(original residue number in PDB)		K338 W340 Y381 R406 N409 H410 Y451 R475 F489
Binding residue
(residue number reindexed from 1)		K144 W146 Y185 R210 N213 H214 Y255 R268 F282
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:6z2a, PDBe:6z2a, PDBj:6z2a
PDBsum6z2a
PubMed34524082
UniProtO60016|CLR4_SCHPO Histone-lysine N-methyltransferase, H3 lysine-9 specific (Gene Name=clr4)

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