Structure of PDB 5jox Chain A Binding Site BS01

Receptor Information
>5jox Chain A (length=502) Species: 28116 (Bacteroides ovatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HQGYSNPVIPGFHPDPSVCKAGDDYYLVNSSFQYFPGVPLFHSKDLVHWE
QIGNCLTRPSQLDLTNANSGSGIFAPTIRYNDGVFYMITTNVSGKGNFLV
HTTDPRSEWSEPVWLEQGGIDPSLYFEDGKCFMVSNPDGYINLCEIDPMT
GKQLSSSKRIWNGTGGRYAEGPHIYKKDGWYYLLISEGGTELGHKVTIAR
SRYIDGPYQGNPANPILTHANESGQSSPIQGTGHADLVEGTDGSWWMVCL
AYRIMPGTHHTLGRETYLAPVRWDKDAWPVVNSNGTISLKMDVPTLPQQE
MKGRPERIDFKEGKLSPEWIHLQNPEAKNYIFTKDGKLRLIATPVTLSDW
KSPTFVALRQEHFDMEASAPVVLQKAGVNDEAGISVFMEFHSHYDLFVRQ
DKDRKRSVGLRYKLGEITHYAKEVSLPTDGEVELVVKSDINYYYFGYKVN
GIYHDLGKMNTRYLSTETAGGFTGVVLGLYITSASKDSKAYADFEYFKYK
GK
Ligand information
Ligand IDEDG
InChIInChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1
InChIKeyOQEBIHBLFRADNM-YUPRTTJUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1C1[C@@H]([C@H]([C@@H](N1)CO)O)O
OpenEye OEToolkits 1.6.1C1C(C(C(N1)CO)O)O
CACTVS 3.352OC[C@@H]1NC[C@H](O)[C@H]1O
CACTVS 3.352OC[CH]1NC[CH](O)[CH]1O
FormulaC5 H11 N O3
Name1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL
ChEMBLCHEMBL406973
DrugBankDB03411
ZINCZINC000001492251
PDB chain5jox Chain A Residue 601 [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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PDB5jox Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D34 F51 A94 D140 E189 H253 R283
Binding residue
(residue number reindexed from 1)		D15 F32 A75 D121 E170 H234 R264
Annotation score1
Binding affinityMOAD: Kd=35uM
PDBbind-CN: -logKd/Ki=4.46,Kd=35uM
Enzymatic activity
Enzyme Commision number 3.2.1.55: non-reducing end alpha-L-arabinofuranosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046556 alpha-L-arabinofuranosidase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0085030 symbiotic process benefiting host
GO:2000899 xyloglucan catabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5jox, PDBe:5jox, PDBj:5jox
PDBsum5jox
PubMed27466444
UniProtA7LXT8|GH43A_BACO1 Non-reducing end alpha-L-arabinofuranosidase BoGH43A (Gene Name=BACOVA_02654)

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