Structure of PDB 3jwh Chain B Binding Site BS01

Receptor Information
>3jwh Chain B (length=188) Species: 240292 (Trichormus variabilis ATCC 29413) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLNQQRMNGVVAALKQSNARRVIDLGCGQGNLLKILLKDSFFEQITGVDV
SYRSLEIAQERLDRLRLPRNQWERLQLIQGALTYQDKRFHGYDAATVIEV
IEHLDLSRLGAFERVLFEFAQPKIVIVTTPNIEYNVKFRFEWTRSQFQNW
ANKITERFAYNVQFQPIGEADPEVGSPTQMAVFIHRGH
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 chain3jwh Chain B Residue 1 [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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PDB3jwh Structural and biochemical insights into 2'-O-methylation at the 3'-terminal nucleotide of RNA by Hen1.
Resolution2.2 Å
Binding residue
(original residue number in PDB)
G288 D311 V312 A343 L344
Binding residue
(residue number reindexed from 1)
G26 D49 V50 A81 L82
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.386: small RNA 2'-O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008171 O-methyltransferase activity
GO:0008173 RNA methyltransferase activity
Biological Process
GO:0001510 RNA methylation

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:3jwh, PDBe:3jwh, PDBj:3jwh
PDBsum3jwh
PubMed19822745
UniProtQ3MCR9

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