Structure of PDB 4wlk Chain B Binding Site BS01

Receptor Information
>4wlk Chain B (length=144) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLEEAFDWDEYPVQRVTATGYTAGAESTGKNPGDPLYGLTYSGVKVKRDL
YSTVAADPSVFPIGTILFIPNYGLGVVADTGSAIKGNRLDLYFETVKDVY
NEWGKKTLDVYVIKKGTGKITEDELEKLNETKSLQVFRNQYKTV
Ligand information
Ligand ID3QL
InChIInChI=1S/C16H26N2O10/c1-5(20)17-9-12(23)11(22)7(3-19)26-16(9)28-14-8-4-25-15(27-8)10(13(14)24)18-6(2)21/h7-16,19,22-24H,3-4H2,1-2H3,(H,17,20)(H,18,21)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+/m1/s1
InChIKeyUVQRTGABPMLDOA-KSKNGZLJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]3CO[C@@H]1O3
CACTVS 3.385CC(=O)N[CH]1[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O)[CH]3CO[CH]1O3
OpenEye OEToolkits 1.9.2CC(=O)NC1C(C(C2COC1O2)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)O
ACDLabs 12.01O=C(NC3C(O)C(O)C(OC3OC1C(O)C(NC(=O)C)C2OC1CO2)CO)C
OpenEye OEToolkits 1.9.2CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O
FormulaC16 H26 N2 O10
NameN-[(1R,2S,3R,4R,5R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide
ChEMBL
DrugBank
ZINCZINC000263621106
PDB chain4wlk Chain B Residue 301 [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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PDB4wlk Structure of the stationary phase survival protein YuiC from B.subtilis.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		Y93 S99 T100 K102 L111 D151 T152 G153 A155 D162
Binding residue
(residue number reindexed from 1)		Y21 S27 T28 K30 L39 D79 T80 G81 A83 D90
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0009254 peptidoglycan turnover
Cellular Component
GO:0019867 outer membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4wlk, PDBe:4wlk, PDBj:4wlk
PDBsum4wlk
PubMed26163297
UniProtO32108|YUIC_BACSU Uncharacterized protein YuiC (Gene Name=yuiC)

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