Structure of PDB 4blw Chain B Binding Site BS02

Receptor Information
>4blw Chain B (length=279) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLSYRHSFHAGNHADVLKHTVQSLIIESLKEKDKPFLYLDTHAGAGRYQL
GSEHAERTGEYLEGIARIWQQDDLPAELEAYINVVKHFNRSGQLRYYPGS
PLIARLLLREQDSLQLTELHPSDYPLLRSEFQKDSRARVEKADGFQQLKA
KLPPVSRRGLILIDPPYEMKTDYQAVVSGIAEGYKRFATGIYALWYPVVL
RQQIKRMIHDLEATGIRKILQIELAVLPDSDRRGMTASGMIVINPPWKLE
QQMNNVLPWLHSKLVPAGTGHATVSWIVP
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 chain4blw Chain B Residue 1281 [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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PDB4blw Structural and Functional Insights Into the Molecular Mechanism of Rrna M6A Methyltransferase Rlmj.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Y4 H6 K18 H19 H42 A43 G99 S100 E118 L119 D143 G144 D164 P166
Binding residue
(residue number reindexed from 1)		Y4 H6 K18 H19 H42 A43 G99 S100 E118 L119 D143 G144 D164 P166
Annotation score5
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:4blw, PDBe:4blw, PDBj:4blw
PDBsum4blw
PubMed23945937
UniProtP37634|RLMJ_ECOLI Ribosomal RNA large subunit methyltransferase J (Gene Name=rlmJ)

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