Structure of PDB 4xx6 Chain B Binding Site BS01

Receptor Information
>4xx6 Chain B (length=321) Species: 670483 (Gloeophyllum trabeum ATCC 11539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTSPFETLRAAAAPRYFGAALGVPHLLNFTHDPLFDVTAVLQFNGATPEN
EMKWAYIEPERNQFNFTGGDIVAAFSAANDYVLRGHNLVWYQELAPWVET
LTGEDLWNATVNHITTVMTHYKESFNIYAWDVVNEAFNDNGTYRENVWYT
QLGPDYIPNAYAVARSVNTPSKLYINDYNTEGINNKSDALLAVVQSMKAH
NLVDGVGFQCHFFVGELPPDLEQNFARFVAAGVEIAVTELDIRMNLPPSQ
ADIEQQARDYATVVNACKAQGAACVGITTWGITDLYSWIPSTYPGEGYAL
LFDDNYVPHPAFNATIQALLA
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain4xx6 Chain F Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xx6 Crystal structure of a glycosylated endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Gloeophyllum trabeum.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		L311 D330
Binding residue
(residue number reindexed from 1)		L285 D304
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E161 N202 H237 E265 D267
Catalytic site (residue number reindexed from 1) E135 N176 H211 E239 D241
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0031176 endo-1,4-beta-xylanase activity
GO:0046872 metal ion binding
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4xx6, PDBe:4xx6, PDBj:4xx6
PDBsum4xx6
PubMed
UniProtS7Q6I2

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