Structure of PDB 3ldg Chain A Binding Site BS01

Receptor Information
>3ldg Chain A (length=377) Species: 210007 (Streptococcus mutans UA159) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKTFNLVATAAAGIEAVVGKELRNLGLDCQVENGRVLFKGNIETIAKSN
LWLRSADRIKIVVGEFPARTFEELFQGVYALDWENYLPLGCQFPVAKAKS
VKSKLHNEPSIQGITKKAIVKKLQHYFHRPDSVPLPENGPEFKIEISLLK
DQARVMIDTTGPSLFKRGYRTEAPIKENMAAAIILLSNWFPDKPFVDPTC
GSGTFCIEAAMIGMNIAPGFNRDFAFEEWPWVDEALVTRVRNEADEQADY
DIQLDISGFDFDGRMVEIARKNAREVGLEDVVKLKQMRLQDFKTNKINGV
LISNPPYGERLLDDKAVDILYNEMGETFAPLKTWSQFILTNDTDFEQKFG
RKADKKRKLYNGSLKVDLYQFYGQRVK
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 chain3ldg Chain A Residue 385 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ldg Crystal structure of SMU.472 complexed with SAH
Resolution1.963 Å
Binding residue
(original residue number in PDB)		I178 T202 S205 T207 D263 F264 R291 L292 Q293 N307
Binding residue
(residue number reindexed from 1)		I175 T199 S202 T204 D260 F261 R288 L289 Q290 N304
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0008168 methyltransferase activity
GO:0008990 rRNA (guanine-N2-)-methyltransferase activity
GO:0070043 rRNA (guanine-N7-)-methyltransferase activity
Biological Process
GO:0006396 RNA processing
GO:0031167 rRNA methylation
GO:0032259 methylation
GO:0070476 rRNA (guanine-N7)-methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3ldg, PDBe:3ldg, PDBj:3ldg
PDBsum3ldg
PubMed
UniProtQ8DVL0

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