Structure of PDB 1w9t Chain A Binding Site BS02

Receptor Information
>1w9t Chain A (length=134) Species: 86665 (Halalkalibacterium halodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLKNPYERIQAEAYDAMSGIQTEGTDDDGGGDNIGWINDGDWVKYERVHF
ERDASSIEVRVASDTPGGRIEIRTGSPTGTLLGDVQVPNTGGWQQWQTVT
GNVQIQPGTYDVYLVFKGSPEYDLMNVNWFVFRA
Ligand information
Ligand IDXYS
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
InChIKeySRBFZHDQGSBBOR-LECHCGJUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
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
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-D-xylopyranose;
alpha-D-xylose;
D-xylose;
xylose;
XYLOPYRANOSE
ChEMBL
DrugBankDB03389
ZINCZINC000001529214
PDB chain1w9t Chain A Residue 1146 [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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PDB1w9t Family 6 Carbohydrate Binding Modules Recognize the Non-Reducing End of Beta-1,3-Linked Glucans by Presenting a Unique Ligand Binding Surface
Resolution1.62 Å
Binding residue
(original residue number in PDB)		D32 D33 Q100 Q101 W102
Binding residue
(residue number reindexed from 1)		D26 D27 Q94 Q95 W96
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.39: glucan endo-1,3-beta-D-glucosidase.
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:1w9t, PDBe:1w9t, PDBj:1w9t
PDBsum1w9t
PubMed15501830
UniProtQ9KG76|ENG1_HALH5 Glucan endo-1,3-beta-D-glucosidase (Gene Name=BH0236)

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