Structure of PDB 2okc Chain A Binding Site BS01

Receptor Information
>2okc Chain A (length=424) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSLTKKVWNLATTLAGQGIGFTDYITQLTYLLFLKMDAENVEMFGEESAI
PTGYQWADLIAFDGLDLVKQYEETLKLLSELDNLIGTIYTKAQNKIDKPV
YLKKVITMIDEEQWLIMDGDVKGAIYESILEKNGQDKKSGAGQYFTPRPL
IQAMVDCINPQMGETVCDPACGTGGFLLTAYDYMKGQSSKEKRDFLRDKA
LHGVDNTPLVVTLASMNLYLHGIGTDRSPIVCEDSLEKEPSTLVDVILAN
PPFGTRPAGSVDINRPDFYVETKNNQLNFLQHMMLMLKTGGRAAVVLPDN
VLFEAGAGETIRKRLLQDFNLHTILRLPTGIFYAQGVKANVLFFSKGQPT
KEIWFYDYRTDIKHTLATNKLERHHLDDFVSCYNNRVEIYDAENNPQGRW
RKYPVDEIIARDKTSLDITWIKPG
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 chain2okc Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2okc Crystal structure of Type I restriction enzyme StySJI M protein (NP_813429.1) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Q151 Y152 F153 T154 R156 A178 C179 G180 T181 G183 F184 D214 N215 D243 N259 P261 F288
Binding residue
(residue number reindexed from 1)		Q143 Y144 F145 T146 R148 A170 C171 G172 T173 G175 F176 D205 N206 D234 N250 P252 F279
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: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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2okc, PDBe:2okc, PDBj:2okc
PDBsum2okc
PubMed
UniProtQ89Z59|T1M_BACTN Type I restriction enzyme BthVORF4518P methylase subunit (Gene Name=hsdM)

[Back to BioLiP]