Structure of PDB 3ldf Chain A Binding Site BS01

Receptor Information
>3ldf Chain A (length=380) Species: 210007 (Streptococcus mutans UA159) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKLMVGSFAEKKLKRGVQLLSSRDYPNLNLDNQVVQLYSDADIFLGTAY
LSKQNKGVGWLISPKKVSLNVTYFIKLFQWSKDKRKNFAHSKLTTAYRLF
NQDGDSFGGVTIDCYGDFVLFSWYNSFVYQIRDEIVAAFRQVYPNFLGAY
EKIRFNVSAHLYGQEAPEQFLILENGISYNVFLNDGLMTGIFLDQRQVRN
ELINGSAAGKTVLNLFSYTAAFSVAAAMGGAMATTSVDLAKRSRALSLAH
FEANHLDMANHQLVVMDVFDYFKYARRHHLTYDIIIIDPPSFARNKEVFS
VSKDYHKLIRQGLEILSENGLIIASTNAANMTVSQFKKQIEKGFGKQKHT
YLDLQQLPSDFAVNVQDESSNYLKVFTIKV
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 chain3ldf Chain A Residue 401 [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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PDB3ldf Crystal structure of SMU.776 complexed with SAH
Resolution2.23 Å
Binding residue
(original residue number in PDB)		F196 F220 S221 Y222 F226 D242 L243 R246 D271 V272 D292
Binding residue
(residue number reindexed from 1)		F192 F216 S217 Y218 F222 D238 L239 R242 D267 V268 D288
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0008168 methyltransferase activity
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3ldf, PDBe:3ldf, PDBj:3ldf
PDBsum3ldf
PubMed
UniProtQ8DUW5

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