Structure of PDB 5deq Chain B Binding Site BS01

Receptor Information
>5deq Chain B (length=223) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYYSSNPTFYLGIDCIIFGFNEGEISLLLLKRNFEPAMGEWSLMGGFVQK
DESVDDAAKRVLAELTGLENVYMEQVGAFGAIDRDPGERVVSIAYYALIN
INEYDRELVQKHNAYWVNINELPALIFDHPEMVDKAREMMKQKASVEPIG
FNLLPKLFTLSQLQSLYEAIYGEPMDKRNFRKRVAEMDFIEKTDKIDKLG
SKRGAALYKFNGKAYRKDPKFKL
Ligand information
Ligand IDARA
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
InChIKeySRBFZHDQGSBBOR-QMKXCQHVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[C@H]1CO[C@@H](O)[C@H](O)[C@H]1O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-L-arabinopyranose;
alpha-L-arabinose;
L-arabinose;
arabinose
ChEMBLCHEMBL505348
DrugBank
ZINCZINC000001532575
PDB chain5deq 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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PDB5deq A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D16 R34 G47 F49 R86 D87 H131
Binding residue
(residue number reindexed from 1)		D14 R32 G45 F47 R84 D85 H129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:5deq, PDBe:5deq, PDBj:5deq
PDBsum5deq
PubMed26438537
UniProtQ8AAV8

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