Structure of PDB 3wn1 Chain A Binding Site BS03

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 3 [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)		W270 N462
Binding residue
(residue number reindexed from 1)		W97 N289
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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