Structure of PDB 3frh Chain A Binding Site BS01

Receptor Information
>3frh Chain A (length=241) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPMNINDALTSILASKKYRALCPDTVRRILTEEWGRHKSPKQTVEAARTR
LHGICGAYVTPESLKAAAAALSAGDVKKALSLHASTKERLAELDTLYDFI
FSAETPRRVLDIACGLNPLALYERGIASVWGCDIHQGLGDVITPFAREKD
WDFTFALQDVLCAPPAEAGDLALIFKLLPLLEREQAGSAMALLQSLNTPR
MAVSFPTRNYAAWFEGGLPAEFEIEDKKTIGTELIYLIKKN
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 chain3frh Chain A Residue 260 [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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PDB3frh Structural bases for 16 S rRNA methylation catalyzed by ArmA and RmtB methyltransferases
Resolution1.2 Å
Binding residue
(original residue number in PDB)		Y56 S83 R87 A111 C112 D131 I132 D157 V158 F173 L178
Binding residue
(residue number reindexed from 1)		Y58 S85 R89 A113 C114 D133 I134 D159 V160 F175 L180
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.179: 16S rRNA (guanine(1405)-N(7))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008649 rRNA methyltransferase activity
Biological Process
GO:0006364 rRNA processing
GO:0031167 rRNA methylation
GO:0032259 methylation
GO:0046677 response to antibiotic

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3frh, PDBe:3frh, PDBj:3frh
PDBsum3frh
PubMed19303884
UniProtQ763K9

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