Structure of PDB 7ubu Chain A Binding Site BS05

Receptor Information
>7ubu Chain A (length=708) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HEPEFIGSPVAADEARSNWPKRYGREELKARCHYRSAKVDNVVYCLGDDV
YVKAGENEADYIGRITEFFEGTDQCHYFTCRWFFRAEDTVINSLVSISVD
GHKHDPRRVFLSEEKNDNVLDCIISKVKIVHVDPNMDPKAKAQLIESCDL
YYDMSYSVAYSTFANISTRTATLLDLYSGCGGMSTGLCLGAALSGLKLET
RWAVDFNSFACQSLKYNHPQTEVRNEKADEFLALLKEWAVLCKKYVQQAD
EDSPLDKDEFVVEKLVGICYGGSDRENGIYFKVQWEGYGPEEDTWEPIDN
LSDCPQKIREFVQEGHKRKILPLPGDVDVICGGPPCQGISGFNRYRNRDE
PLKDEKNKQMVTFMDIVAYLKPKYVLMENVVDILKFADGYLGKYALSCLV
AMKYQARLGMMVAGCYGLPQFRMRVFLWGALSSMVLPKYPLPTYDVVVRG
GAPNAFSQCMVAYDETQKPSLKKALLLGDAISDLPKVQNHQPNDVMEYGG
SPKTEFQRYIRLSRKDMLDWSFGEGAGPDEGKLLDHQPLRLNNDDYERVQ
QIPVKKGANFRDLKGVRVGANNIVEWDPEIERVKLSSGKPLVPDYAMSFI
KGKSLKPFGRLWWDETVPTVVTRAEPHNQVIIHPTQARVLTIRENARLQG
FPDYYRLFGPIKEKYIQVGNAVAVPVARALGYCLGQAYLGESEGSDPLYQ
LPPSFTSV
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 chain7ubu Chain A Residue 1000 [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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PDB7ubu Mechanistic basis for maintenance of CHG DNA methylation in plants.
Resolution2.39 Å
Binding residue
(original residue number in PDB)		Y347 S348 G349 G352 M353 D375 F376 K397 A398 G514 Q540 N851 A852 V853
Binding residue
(residue number reindexed from 1)		Y177 S178 G179 G182 M183 D205 F206 K227 A228 G333 Q359 N670 A671 V672
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.37: DNA (cytosine-5-)-methyltransferase.
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0008168 methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7ubu, PDBe:7ubu, PDBj:7ubu
PDBsum7ubu
PubMed35790763
UniProtQ9AXT8|CMT1_MAIZE DNA (cytosine-5)-methyltransferase 1 (Gene Name=MET2A)

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