Structure of PDB 3kw2 Chain B Binding Site BS01

Receptor Information
>3kw2 Chain B (length=238) Species: 431947 (Porphyromonas gingivalis ATCC 33277) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPLFYAPDIEQSDRLPDDEAGHILRVLRMQAGDRLRLTDGRGSFFDAVIE
TADRKSCYVSVCGQESWQKPWRDRITIAIAPTKQSERMEWMLEKLVEIGV
DEVVFIESEHSERRRIKAERLERIAISAMKQSLKASFPVIRVNIPIQTVI
ADTPKAAVRLIAYVDEAVRGRGYPSDFYHVGQDVLILIGPEGDFSPSEVE
SALLAGFAPVSLGESRLRTETAGLVACQWIHTLQACYR
Ligand information
Ligand IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain3kw2 Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kw2 Crystal structure of probable rRNA-methyltransferase from Porphyromonas gingivalis
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A164 Y165 V166 I195 G196 P197 D200 S218 L219 A229
Binding residue
(residue number reindexed from 1)		A162 Y163 V164 I188 G189 P190 D193 S211 L212 A222
Annotation score2
Enzymatic activity
Enzyme Commision number 2.1.1.193: 16S rRNA (uracil(1498)-N(3))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0070042 rRNA (uridine-N3-)-methyltransferase activity
Biological Process
GO:0006364 rRNA processing
GO:0032259 methylation
GO:0070475 rRNA base methylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3kw2, PDBe:3kw2, PDBj:3kw2
PDBsum3kw2
PubMed
UniProtB2RH75

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