Structure of PDB 6dru Chain B Binding Site BS06

Receptor Information
>6dru Chain B (length=717) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YFAPNSTGLRIQHGFETILIQPFGYDGFRVRAWPFRPPSGNEISFIYDPP
IEGYEDTAHGMSYDTATTGTEPRTLRNGNIILRTTGWGGTTAGYRLSFYR
VNDDGSETLLTNEYAPLKSLNPRYYYWPGPGAEFSAEFSFSATPDEQIYG
TGTQQDHMINKKGSVIDMVNFNSYIPTPVFMSNKGYAFIWNMPAEGRMEF
GTLRTRFTAASTTLVDYVIVAAQPGDYDTLQQRISALTGRAPAPPDFSLG
YIQSKLRYENQTEVELLAQNFHDRNIPVSMIVIDYQSWAHQGDWALDPRL
WPNVAQMSARVKNLTGAEMMASLWPSVADDSVNYAALQANGLLSATRDGP
GTTDSWNGSYIRNYDSTNPSARKFLWSMLKKNYYDKGIKNFWIDQADGGA
LGEAYENNGQSTYIESIPFTLPNVNYAAGTQLSVGKLYPWAHQQAIEEGF
RNATDTKEGSACDHVSLSRSGYIGSQRFCSMIWSGDTTSVWDTLAVQVAS
GLSAAATGWGWWTVDAGGFEVDSTVWWSGNIDTPEYRELYVRWLAWTTFL
PFMRTHGSRTCYFQDAYTCANEPWSYGASNTPIIVSYIHLRYQLGAYLKS
IFNQFHLTGRSIMRPLYMDFEKTDPKISQLVSSNSNYTTQQYMFGPRLLV
SPVTLPNVTEWPVYLPQTGQNNTKPWTYWWTNETYAGGQVVKVPAPLQHI
PVFHLGSREELLSGNVF
Ligand information
Ligand IDXYS
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
InChIKeySRBFZHDQGSBBOR-LECHCGJUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-D-xylopyranose;
alpha-D-xylose;
D-xylose;
xylose;
XYLOPYRANOSE
ChEMBL
DrugBankDB03389
ZINCZINC000001529214
PDB chain6dru Chain B Residue 828 [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)		D285 D395 R470 D487 F520 H557
Binding residue
(residue number reindexed from 1)		D284 D394 R469 D486 F519 H556
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

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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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