Structure of PDB 1v0k Chain A Binding Site BS02

Receptor Information
>1v0k Chain A (length=301) Species: 1916 (Streptomyces lividans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESTLGAAAAQSGRYFGTAIASGRLSDSTYTSIAGREFNMVTAENEMKIDA
TEPQRGQFNFSSADRVYNWAVQNGKQVRGHTLAWHSQQPGWMQSLSGSAL
RQAMIDHINGVMAHYKGKIVQWDVVNEAFADGSSGARRDSNLQRSGNDWI
EVAFRTARAADPSAKLCYNDYNVENWTWAKTQAMYNMVRDFKQRGVPIDC
VGFQSHFNSGSPYNSNFRTTLQNFAALGVDVAITELDIQGAPASTYANVT
NDCLAVSRCLGITVWGVRDSDSWRSEQTPLLFNNDGSKKAAYTAVLDALN
G
Ligand information
Ligand IDXDN
InChIInChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+
InChIKeyRMCNETIHECSPMZ-SCDXWVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[C@H]1CNC[C@@H](O)[C@@H]1O
ACDLabs 12.01OC1CNCC(O)C1O
CACTVS 3.370O[CH]1CNC[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1[C@H](C([C@H](CN1)O)O)O
OpenEye OEToolkits 1.7.6C1C(C(C(CN1)O)O)O
FormulaC5 H11 N O3
NamePIPERIDINE-3,4,5-TRIOL;
XYLOSE-DERIVED 1-DEOXY-NOJIRIMYCIN
ChEMBLCHEMBL110830
DrugBank
ZINCZINC000100872034
PDB chain1v0k Chain A Residue 1304 [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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PDB1v0k Atomic Resolution Analyses of the Binding of Xylobiose-Derived Deoxynojirimycin and Isofagomine to Xylanase Xyn10A
Resolution1.03 Å
Binding residue
(original residue number in PDB)		K48 H81 W85 N127 E128 Q205 E236 W266 W274
Binding residue
(residue number reindexed from 1)		K47 H80 W84 N126 E127 Q204 E235 W265 W273
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.10,Ki=8uM
Enzymatic activity
Catalytic site (original residue number in PDB) E128 N170 H207 E236 D238
Catalytic site (residue number reindexed from 1) E127 N169 H206 E235 D237
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1v0k, PDBe:1v0k, PDBj:1v0k
PDBsum1v0k
PubMed15306887
UniProtP26514|XYNA_STRLI Endo-1,4-beta-xylanase A (Gene Name=xlnA)

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