Structure of PDB 5ae6 Chain B Binding Site BS02

Receptor Information
>5ae6 Chain B (length=767) Species: 51453 (Trichoderma reesei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENNQTYANYSAQGQPDLYPETLATLTLSFPDCEHGPLKNNLVCDSSAGYV
ERAQALISLFTLEELILNTQNSGPGVPRLGLPNYQVWNEALHGLDRANFA
TKGGQFEWATSFPMPILTTAALNRTLIHQIADIISTQARAFSNSGRYGLD
VYAPNVNGFRSPLWGRGQETPGEDAFFLSSAYTYEYITGIQGGVDPEHLK
VAATVKHFAGYDLENWNNQSRLGFDAIITQQDLSEYYTPQFLAAARYAKS
RSLMCAYNSVNGVPSCANSFFLQTLLRESWGFPEWGYVSSDCDAVYNVFN
PHDYASNQSSAAASSLRAGTDIDCGQTYPWHLNESFVAGEVSRGEIERSV
TRLYANLVRLGYFDKKNQYRSLGWKDVVKTDAWNISYEAAVEGIVLLKND
GTLPLSKKVRSIALIGPWANATTQMQGNYYGPAPYLISPLEAAKKAGYHV
NFELGTEIAGNSTTGFAKAIAAAKKSDAIIYLGGIDNTIEQEGADRTDIA
WPGNQLDLIKQLSEVGKPLVVLQMGGGQVDSSSLKSNKKVNSLVWGGYPG
QSGGVALFDILSGKRAPAGRLVTTQYPAEYVHQFPQNDMNLRPDGKSNPG
QTYIWYTGKPVYEFGSGLFYTTFKETLASHPKSLKFNTSSILSAPHPGYT
YSEQIPVFTFEANIKNSGKTESPYTAMLFVRTSNAGPAPYPNKWLVGFDR
LADIKPGHSSKLSIPIPVSALARVDSHGNRIVYPGKYELALNTDESVKLE
FELVGEEVTIENWPLEE
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 chain5ae6 Chain L Residue 2 [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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PDB5ae6 Th Crystal Structure of a Fungal Glycoside Hydrolase Family 3 Beta-Xylosidase, Xyl3A from Hypocrea Jecorina
Resolution2.1 Å
Binding residue
(original residue number in PDB)		W87 E89 Y152 R166 K206 H207 Y257 D291
Binding residue
(residue number reindexed from 1)		W87 E89 Y152 R166 K206 H207 Y257 D291
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D291 E490
Catalytic site (residue number reindexed from 1) D291 E490
Enzyme Commision number 3.2.1.37: xylan 1,4-beta-xylosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0009044 xylan 1,4-beta-xylosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046556 alpha-L-arabinofuranosidase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0031222 arabinan catabolic process
GO:0045493 xylan catabolic process
Cellular Component
GO:0009505 plant-type cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ae6, PDBe:5ae6, PDBj:5ae6
PDBsum5ae6
PubMed
UniProtQ92458

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