Structure of PDB 3vse Chain A Binding Site BS01

Receptor Information
>3vse Chain A (length=390) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIATLNKGKETKYFNGYPLIEEEDIYSQDHLKEGDIFQIVTDKSQYVAT
AYVGRQHKGLGWVLTYDKAQEINTAFFVKLFNTALAERDYYFNIDGTNAF
RLFNAEGDGVGGLTIDNYDGHLLIQWYSKGIYKFKYAILEAVRKVFDYKS
IYEKVRFKDSEYSGGFVEGDAPEFPIVIEENFTFYNVDLEDGLMTGIFLD
QKEVRKKLRGQYAKERHVLNLFSYTGAFSVIAASEASSTTSVDLANRSRS
LTEENFGLNAIDPKSQYIYVMDTFDFYKYAARHGHSYDTIVIDPPSFARN
KKRTFSVQKDYDKLINGALNILSSEGTLLLCTNASVYPLKQFKNTIKKTL
EESGVDYELTEVMGLPKDFKTHPHYKPSKYLKAVFVNIRH
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 chain3vse 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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PDB3vse Crystal structure of a putative methyltransferase SAV1081 from Staphylococcus aureus
Resolution2.099 Å
Binding residue
(original residue number in PDB)		F222 Y224 F228 D243 L244 D272 T273 D293
Binding residue
(residue number reindexed from 1)		F222 Y224 F228 D243 L244 D272 T273 D293
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:3vse, PDBe:3vse, PDBj:3vse
PDBsum3vse
PubMed23016631
UniProtA0A0H3JYW8

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