Structure of PDB 6j7l Chain A Binding Site BS01

Receptor Information
>6j7l Chain A (length=383) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FQHMASWDIFCSVVDNYGDIGVTWRLARQLAAEHGQAVRLWVDEPQAFAR
ICPRADPVAHVQCLDGVEVRAWGRPWAPVAAADVVIEAFACELPEAHRQA
MRERKRPSLWLNLEYLSAEEWIGSCHALPSLQACGLSKYFFFPGFREPSG
GLLREAGLLERRRRFQASVSAQDEFLASLGVRRKVGERLISLFAYENPAL
PGWLEQLRDARQPSLLLVPEGRVLADVADWLRVATLAVGDVHVRDALRVQ
VLPFMAQDDYDRLLWCCDLNAVRGEDSFVRAQWAGRPLLWHIYRTHLAKL
EAFLELYCAGLPADLAENLRTFWLAWNAGGGLAGAWEGLERQLPEWRREA
QRWADEQGMRPDLAARLVQFYADWLLEHHHHHH
Ligand information
Ligand IDTYD
InChIInChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyUJLXYODCHAELLY-XLPZGREQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
FormulaC10 H16 N2 O11 P2
NameTHYMIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL259724
DrugBankDB03103
ZINCZINC000008215882
PDB chain6j7l Chain A Residue 401 [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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PDB6j7l Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P.
Resolution1.851 Å
Binding residue
(original residue number in PDB)		N13 Y14 G15 F190 Y192 F251 M252 Q254 Y257 R270 E272 D273 S274
Binding residue
(residue number reindexed from 1)		N16 Y17 G18 F193 Y195 F254 M255 Q257 Y260 R273 E275 D276 S277
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=4.50,Kd=31.4uM
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0106361 protein-arginine rhamnosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6j7l, PDBe:6j7l, PDBj:6j7l
PDBsum6j7l
PubMed31010899
UniProtQ9HZZ1|EARP_PSEAE Protein-arginine rhamnosyltransferase (Gene Name=earP)

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