Structure of PDB 7p9o Chain A Binding Site BS01

Receptor Information
>7p9o Chain A (length=274) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSYRHSFHAGNHADVLKHTVQSLIIESLKEKDKPFLYLDTHAGAGRYQLG
STGKYLEGIARIWQQDDLPAELEAYINVVKHFNRSGQLRYYPGSPLIARQ
LLREQDSLQLTELHPSDYPLLRSEFQKDSRARVEKADGFQQLKAKLPPVS
RRGLILIDPPYEMKTDYQAVVSGIAEGYKRFATGTYALWYPVVLRQQIKR
MIHDLEATGIRKILQIELAVLPDSDRRGMTASGMIVINPPWKLEQQMNNV
LPWLHSKLVPAGTGHATVSWIVPE
Ligand information
Ligand ID0Y0
InChIInChI=1S/C14H21N7O5/c15-6(14(24)25)1-2-17-3-7-9(22)10(23)13(26-7)21-5-20-8-11(16)18-4-19-12(8)21/h4-7,9-10,13,17,22-23H,1-3,15H2,(H,24,25)(H2,16,18,19)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyWSOGVCAFRBSBRE-WFMPWKQPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC[C@@H](C(=O)O)N)O)O)N
CACTVS 3.370N[CH](CCNC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCNCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNCCC(C(=O)O)N)O)O)N
CACTVS 3.370N[C@@H](CCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
FormulaC14 H21 N7 O5
Name5'-{[(3S)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine
ChEMBLCHEMBL2018849
DrugBank
ZINCZINC000039470870
PDB chain7p9o Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p9o Synthesis of RNA-cofactor conjugates and structural exploration of RNA recognition by an m6A RNA methyltransferase.
Resolution2.095 Å
Binding residue
(original residue number in PDB)		K18 H19 H42 A43 S100 E118 L119 A142 D143 G144 D164
Binding residue
(residue number reindexed from 1)		K17 H18 H41 A42 S94 E112 L113 A136 D137 G138 D158
Annotation score3
Enzymatic activity
Enzyme Commision number 2.1.1.266: 23S rRNA (adenine(2030)-N(6))-methyltransferase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003723 RNA binding
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0008649 rRNA methyltransferase activity
GO:0008988 rRNA (adenine-N6-)-methyltransferase activity
GO:0036307 23S rRNA (adenine(2030)-N(6))-methyltransferase activity
Biological Process
GO:0006364 rRNA processing
GO:0015976 carbon utilization
GO:0032259 methylation
GO:0070475 rRNA base methylation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7p9o, PDBe:7p9o, PDBj:7p9o
PDBsum7p9o
PubMed35580049
UniProtP37634|RLMJ_ECOLI Ribosomal RNA large subunit methyltransferase J (Gene Name=rlmJ)

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