Structure of PDB 6q7j Chain A Binding Site BS01

Receptor Information
>6q7j Chain A (length=770) Species: 227321 (Aspergillus nidulans FGSC A4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PANTSYTDYNVEANPDLFPLCLQHLNASFPDCASGPLSLTPVCDRSLSPK
DRATALVSLFTFDELVNNTGNTGLGVSRLGLPNYQVWGEALHGVGRANFV
ESGNFSWATSFPMPITMMAALNKTLIHQIGTIVSTQLRAFSNAGLGGVDV
YSPNINTFRHPVWGRGQETPGEDAFLTSVYGYEYITALQGGVDPETLKII
ATAKHYAGYDIESWNNHSRLGNDMQITQQELSEYYTPPFIVASRDAKVRS
VMCSYNAVNGVPSCANKFFLQTLLRDTFEFSEDGYVSGDCGAVYNVWNPH
GYASNEAAASADSILAGTDIDCGTSYQWHSEDAFEDSLVSRSDIERGVIR
LYSNLVQAGYFDGEDAPYRDITWDDVLSTDAWNIAYEAAVEGIVLLKNDE
TLPLSKDIKSVAVIGPWANVTEELQGNYFGPAPYLISPLTGFRDSGLDVH
YALGTNLTSHSTSGFEEALTAAKQADAIIFAGGIDNTIEAEAMDRENITW
PGNQLDLISKLSELGKPLVVLQMGGGQVDSSSLKDNDNVNALIWGGYPGQ
SGGHALADIITGKRAPAGRLVTTQYPAEYAEVFPAIDMNLRPNETSGNPG
QTYMWYTGTPVYEFGHGLFYTTFEESTETTDAGSFNIQTVLTTPHSGYEH
AQQKTLLNFTATVKNTGERESDYTALVYVNTTAGPAPYPKKWVVGFDRLG
GLEPGDSQTLTVPVTVESVARTDEQGNRVLYPGSYELALNNERSVVVKFE
LKGEEAVILSWPEDTTSDFV
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 chain6q7j Chain E Residue 8 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6q7j Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		A399 N401
Binding residue
(residue number reindexed from 1)		A381 N383
Annotation score4
Enzymatic activity
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
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0031222 arabinan catabolic process
GO:0045493 xylan catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6q7j, PDBe:6q7j, PDBj:6q7j
PDBsum6q7j
PubMed31263766
UniProtQ5BAS1|XYND_EMENI Exo-1,4-beta-xylosidase xlnD (Gene Name=xlnD)

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