Structure of PDB 7eew Chain A Binding Site BS01

Receptor Information
>7eew Chain A (length=610) Species: 196600 (Vibrio vulnificus YJ016) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKLMNIIELIRKDTGINNAIDAVEQLALLLLVRYTHEVASNEISKENHID
SFKNLFFDLNVIDFYTLRDKLNHIVVNCRFSFSRNNWEKIENILDQIPFR
IRSTKILDLVIHRLEELDLSEGIEIDFDHLLLNMVKDSGSSGAYYSPRPL
IKAMVRVLNPKPLATVYDPAMGTGGVFVEAKKHAKGGLSFIGNDLSPFAH
LIGALNLLLNDIDISGVSISDSLLDRDCQQYDFVISGVPFGKVNELTKYE
YYYHGYSGSLEAMFLKHTMDKLAKGGRAAIVIPDGILFGNASHLDELKRQ
LLTQFNLHAVLSLPKGTLAPYSGVKVSVLFFDNTVSEKDIWFYELRTNKP
LSKVNSITDSDFEDFTSLYERREVSENSCLISKESLLQDKTLNLSFSLPK
FDKQEMIASLKSEQLSLVTSIENHFDYMSLNLECKYIHQVKLKDICKLRS
GDKLNKSEVMDSGEFPVYGGNGVIGFNVEPNRHGDSIVIGKVGAHCGNIH
FSTQPYWLTSNAMSLELLDTTKVYLPYLAHVLKSLELNNLATGTAQKFIS
INKLYEVEVSLPSLEKQREMSEWFTSIEESKSKIQSLLADFSRNLGTIST
ESITEKALKG
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 chain7eew Chain A Residue 700 [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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PDB7eew Structural features of a minimal intact methyltransferase of a type I restriction-modification system.
Resolution2.896 Å
Binding residue
(original residue number in PDB)		A160 Y161 S163 A187 M188 D216 L217 D243 S244 L245 F286
Binding residue
(residue number reindexed from 1)		A143 Y144 S146 A170 M171 D194 L195 D221 S222 L223 F264
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.72: site-specific DNA-methyltransferase (adenine-specific).
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0008168 methyltransferase activity
GO:0008170 N-methyltransferase activity
Biological Process
GO:0009307 DNA restriction-modification system
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7eew, PDBe:7eew, PDBj:7eew
PDBsum7eew
PubMed35337914
UniProtQ7MJG0

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