Structure of PDB 3wn1 Chain A Binding Site BS02

Receptor Information
>3wn1 Chain A (length=302) Species: 100226 (Streptomyces coelicolor A3(2)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTCALPSTYRWSSTGVLAQPKSGWVALKDFTTVTHNGRHLVYGSTSSGSS
YGSMVFSPFTNWSDMASAGQNAMNQAAVAPTLFYFAPKNIWVLAYQWGSW
PFIYRTSSDPTDPNGWSAPQPLFTGSISGSDTGPIDQTLIADGQNMYLFF
AGDNGKIYRASMPIGNFPGNFGSSYTTIMSDTKANLFEGVQVYKVQGQNQ
YLMIVEAMGANGRYFRSFTASSLSGSWTPQAASEGNPFAGKANSGATWTN
DISHGDLVRDNPDQTMTVDPCNLQFLYQGKSPNAGGDYNSLPWRPGVLTL
RR
Ligand information
Ligand IDXYP
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeySRBFZHDQGSBBOR-KKQCNMDGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namebeta-D-xylopyranose;
beta-D-xylose;
D-xylose;
xylose
ChEMBL
DrugBank
ZINCZINC000001529215
PDB chain3wn1 Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wn1 Crystal structure and characterization of the glycoside hydrolase family 62 alpha-L-arabinofuranosidase from Streptomyces coelicolor
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D326 F360 E361 R386 Y461
Binding residue
(residue number reindexed from 1)		D153 F187 E188 R213 Y288
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.55: non-reducing end alpha-L-arabinofuranosidase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0046556 alpha-L-arabinofuranosidase activity
Biological Process
GO:0045493 xylan catabolic process
GO:0046373 L-arabinose metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3wn1, PDBe:3wn1, PDBj:3wn1
PDBsum3wn1
PubMed24482228
UniProtO54161|EABF_STRCO Extracellular exo-alpha-L-arabinofuranosidase (Gene Name=abfB)

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