Structure of PDB 1e0x Chain A Binding Site BS01

Receptor Information
>1e0x Chain A (length=309) Species: 1916 (Streptomyces lividans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AESTLGAAAAQSGRYFGTAIASGRLSDSTYTSIAGREFNMVTAENEMKID
ATEPQRGQFNFSSADRVYNWAVQNGKQVRGHTLAWHSQQPGWMQSLSGSA
LRQAMIDHINGVMAHYKGKIVQWDVVNEAFADGSSGARRDSNLQRSGNDW
IEVAFRTARAADPSAKLCYNDYNVENWTWAKTQAMYNMVRDFKQRGVPID
CVGFQSHFNSGSPYNSNFRTTLQNFAALGVDVAITELDIQGAPASTYANV
TNDCLAVSRCLGITVWGVRDSDSWRSEQTPLLFNNDGSKKAAYTAVLDAL
NGGDSSEPP
Ligand information
Ligand IDX2F
InChIInChI=1S/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5+/m1/s1
InChIKeyYVMHSZGJGHRGOD-MBMOQRBOSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1CO[CH](O)[CH](F)[CH]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)F)O)O
CACTVS 3.341O[C@@H]1CO[C@H](O)[C@H](F)[C@H]1O
ACDLabs 10.04FC1C(O)C(O)COC1O
FormulaC5 H9 F O4
Name2-deoxy-2-fluoro-alpha-D-xylopyranose;
2-DEOXY-2-FLUORO XYLOPYRANOSE;
2-deoxy-2-fluoro-alpha-D-xylose;
2-deoxy-2-fluoro-D-xylose;
2-deoxy-2-fluoro-xylose
ChEMBL
DrugBank
ZINC
PDB chain1e0x Chain C Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e0x Substrate Specificity in Glycoside Hydrolase Family 10. Structural and Kinetic Analysis of the Streptomyces Lividans Xylanase 10A
Resolution1.65 Å
Binding residue
(original residue number in PDB)		K48 H81 W85 Q205 H207 E236 W266 W274
Binding residue
(residue number reindexed from 1)		K48 H81 W85 Q205 H207 E236 W266 W274
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E128 N170 H207 E236 D238
Catalytic site (residue number reindexed from 1) E128 N170 H207 E236 D238
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1e0x, PDBe:1e0x, PDBj:1e0x
PDBsum1e0x
PubMed10930426
UniProtP26514|XYNA_STRLI Endo-1,4-beta-xylanase A (Gene Name=xlnA)

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