Structure of PDB 6dru Chain A Binding Site BS02

Receptor Information
>6dru Chain A (length=718) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYFAPNSTGLRIQHGFETILIQPFGYDGFRVRAWPFRPPSGNEISFIYDP
PIEGYEDTAHGMSYDTATTGTEPRTLRNGNIILRTTGWGGTTAGYRLSFY
RVNDDGSETLLTNEYAPLKSLNPRYYYWPGPGAEFSAEFSFSATPDEQIY
GTGTQQDHMINKKGSVIDMVNFNSYIPTPVFMSNKGYAFIWNMPAEGRME
FGTLRTRFTAASTTLVDYVIVAAQPGDYDTLQQRISALTGRAPAPPDFSL
GYIQSKLRYENQTEVELLAQNFHDRNIPVSMIVIDYQSWAHQGDWALDPR
LWPNVAQMSARVKNLTGAEMMASLWPSVADDSVNYAALQANGLLSATRDG
PGTTDSWNGSYIRNYDSTNPSARKFLWSMLKKNYYDKGIKNFWIDQADGG
ALGEAYENNGQSTYIESIPFTLPNVNYAAGTQLSVGKLYPWAHQQAIEEG
FRNATDTKEGSACDHVSLSRSGYIGSQRFCSMIWSGDTTSVWDTLAVQVA
SGLSAAATGWGWWTVDAGGFEVDSTVWWSGNIDTPEYRELYVRWLAWTTF
LPFMRTHGSRTCYFQDAYTCANEPWSYGASNTPIIVSYIHLRYQLGAYLK
SIFNQFHLTGRSIMRPLYMDFEKTDPKISQLVSSNSNYTTQQYMFGPRLL
VSPVTLPNVTEWPVYLPQTGQNNTKPWTYWWTNETYAGGQVVKVPAPLQH
IPVFHLGSREELLSGNVF
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 chain6dru Chain C Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6dru Crystal Structure of alpha-Xylosidase fromAspergillus nigerin Complex with a Hydrolyzed Xyloglucan Product and New Insights in Accurately Predicting Substrate Specificities of GH31 Family Glycosidases.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		F564 Q565
Binding residue
(residue number reindexed from 1)		F564 Q565
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.177: alpha-D-xyloside xylohydrolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0061634 alpha-D-xyloside xylohydrolase
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6dru, PDBe:6dru, PDBj:6dru
PDBsum6dru
PubMed32161692
UniProtA2QTU5|XYLA_ASPNC Alpha-xylosidase A (Gene Name=axlA)

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