Structure of PDB 6pqb Chain B Binding Site BS01

Receptor Information
>6pqb Chain B (length=264) Species: 584 (Proteus mirabilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNDNYIEEVTAKVLTSGKYSTLYPPTVRRVTERLFDRYPPKQLEKEVRKK
LHQAYGAYIDGKRLEKKIEKIIHEIPNPTTDEATRTEWEKEICLKILNLH
TSTNERTVAYDELYQKIFEVTGVPTSITDAGCALNPFSFPFFTEAGMLGQ
YIGFDLDKGMIEAIEHSLRTLNAPEGIVVKQGDILSDPSGESDLLLMFKL
YTLLDRQEEASGLKILQEWKYKNAVISFPIKNYTVKFENDLVGSDLRIMQ
KLKLGNEMYFIVSR
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 chain6pqb Chain B Residue 301 [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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PDB6pqb Functionally critical residues in the aminoglycoside resistance-associated methyltransferase RmtC play distinct roles in 30S substrate recognition.
Resolution3.14 Å
Binding residue
(original residue number in PDB)		Y60 S107 T108 R111 G136 A138 D160 L161 D188 F203 Q212
Binding residue
(residue number reindexed from 1)		Y58 S102 T103 R106 G131 A133 D155 L156 D183 F198 Q207
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:6pqb, PDBe:6pqb, PDBj:6pqb
PDBsum6pqb
PubMed31594862
UniProtQ33DX5|RMTC_PROMI 16S rRNA (guanine(1405)-N(7))-methyltransferase (Gene Name=rmtC)

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