Structure of PDB 2y7h Chain B Binding Site BS02

Receptor Information
>2y7h Chain B (length=529) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNNNDLVAKLWKLCDNLRDGGVSYQNYVNELASLLFLKMCKETGQEAEYL
PEGYRWDDLKSRIGQEQLQFYRKMLVHLGEDDKKLVQAVFHNVSTTITEP
KQITALVSNMDSLDWYNGAHGKSRDDFGDMYEGLLQKNANETKSGAGQYF
TPRPLIKTIIHLLKPQPREVVQDPAAGTAGFLIEADRYVKSQTNDLDDLD
GDTQDFQIHRAFIGLELVPGTRRLALMNCLLHDIEGNLDHGGAIRLGNTL
GSDGENLPKAHIVATNPPFGSAAGTNITRTFVHPTSNKQLCFMQHIIETL
HPGGRAAVVVPDNVLFEGGKGTDIRRDLMDKCHLHTILRLPTGIFYAQGV
KTNVLFFTKGTVANPNQDKNCTDDVWVYDLRTNMPSFGKRTPFTDEHLQP
FERVYGEDPHGLSPRTEGEWSFNAEETEVADSEENKNTDQHLATSRWRKF
SREWIRTAKSDSLDISWLKDKDSIDADSLPEPDVLAAEAMGELVQALSEL
DALMRELGASDEADLQRQLLEEAFGGVKE
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 chain2y7h Chain B Residue 530 [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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PDB2y7h The Structure of M.Ecoki Type I DNA Methyltransferase with a DNA Mimic Antirestriction Protein.
Resolution18.0 Å
Binding residue
(original residue number in PDB)		Q148 Y149 A175 G180 F181 E216 N248 T249 N266 P268 T275 F292
Binding residue
(residue number reindexed from 1)		Q148 Y149 A175 G180 F181 E216 N248 T249 N266 P268 T275 F292
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.72: site-specific DNA-methyltransferase (adenine-specific).
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0008170 N-methyltransferase activity
GO:0009007 site-specific DNA-methyltransferase (adenine-specific) activity
Biological Process
GO:0009307 DNA restriction-modification system
GO:0032259 methylation
Cellular Component
GO:0005829 cytosol
GO:0019812 type I site-specific deoxyribonuclease complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2y7h, PDBe:2y7h, PDBj:2y7h
PDBsum2y7h
PubMed19074193
UniProtP08957|T1MK_ECOLI Type I restriction enzyme EcoKI methylase subunit (Gene Name=hsdM)

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