Structure of PDB 4qeo Chain A Binding Site BS04

Receptor Information
>4qeo Chain A (length=472) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEPHLKVTKCLRLFNKQYLLCVQAKLSRPDLKGVTEMIKAKAILYPRKII
GDLPGIDVGHRFFSRAEMCAVGFHNHWLNGIDYMSMEYEKEYSNYKLPLA
VSIVMSGQYEDDLDNADTVTYTGQGGHNLTGNKRQIKDQLLERGNLALKH
CCEYNVPVRVTRGHNCKSSYTKRVYTYDGLYKVEKFWAQKGVSGFTVYKY
RLKRLEGQPELTTDIEGLVCEDISGGLEFKGIPATNRVDDSPVSPTSGFT
YIKSLIIEPNVIIPKSSTGCNCRGSCTDSKKCACAKLNGGNFPYVDLNDG
RLIESRDVVFECGPHCGCGPKCVNRTSQKRLRFNLEVFRSAKKGWAVRSW
EYIPAGSPVCEYIGVVRRTADVNEYIFEIDCPEFCIDAGSTGNFARFINH
SCEPNLFVQCVLSSHQDIRLARVVLFAADNISPMQELTYDYGYALDSVHG
PDGKVKQLACYCGALNCRKRLY
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 chain4qeo Chain A Residue 801 [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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PDB4qeo Mechanism of DNA Methylation-Directed Histone Methylation by KRYPTONITE.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K456 G457 W458 E492 Y493 R548 N551 H552 Y593 Y613
Binding residue
(residue number reindexed from 1)		K343 G344 W345 E374 Y375 R396 N399 H400 Y441 Y461
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Y475 Y593
Catalytic site (residue number reindexed from 1) Y362 Y441
Enzyme Commision number 2.1.1.-
2.1.1.367: [histone H3]-lysine(9) N-methyltransferase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0042054 histone methyltransferase activity
Cellular Component
GO:0005634 nucleus

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:4qeo, PDBe:4qeo, PDBj:4qeo
PDBsum4qeo
PubMed25018018
UniProtQ8GZB6|SUVH4_ARATH Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH4 (Gene Name=SUVH4)

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