Structure of PDB 1p91 Chain B Binding Site BS02

Receptor Information
>1p91 Chain B (length=258) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFSCPLCHQPLSREKNSYICPQRHQFDMAKEGYVNLLPDSAEMMQARRAF
LDAGHYQPLRDAIVAQLRERLDDKATAVLDIGCGEGYYTHAFADALPEIT
TFGLDVSKVAIKAAAKRYPQVTFCVASSHRLPFSDTSMDAIIRIYAPCKA
EELARVVKPGGWVITATPGPRHLMELKGLIYNEVHLHAPHAEQLEGFTLQ
QSAELCYPMRLRGDEAVALLQMTPFAWRAKPEVWQTLAAKEVFDCQTDFN
IHLWQRSY
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain1p91 Chain B Residue 2401 [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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PDB1p91 Crystal structure of RlmAI: implications for understanding the 23S rRNA G745/G748-methylation at the macrolide antibiotic-binding site.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R58 Y67 C94 G95 E96 G97 Y99 Y156 H183 L184 M233 T234
Binding residue
(residue number reindexed from 1)		R47 Y56 C83 G84 E85 G86 Y88 Y145 H172 L173 M222 T223
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.187: 23S rRNA (guanine(745)-N(1))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008270 zinc ion binding
GO:0008989 rRNA (guanine-N1-)-methyltransferase activity
GO:0046872 metal ion binding
GO:0052911 23S rRNA (guanine(745)-N(1))-methyltransferase activity
Biological Process
GO:0006364 rRNA processing
GO:0032259 methylation
GO:0070475 rRNA base methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1p91, PDBe:1p91, PDBj:1p91
PDBsum1p91
PubMed14999102
UniProtP36999|RLMA_ECOLI 23S rRNA (guanine(745)-N(1))-methyltransferase (Gene Name=rlmA)

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