Structure of PDB 8gyy Chain A Binding Site BS04

Receptor Information
>8gyy Chain A (length=757) Species: 5353 (Lentinula edodes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQWPAPLANGGKSWASAFKKAKATVTEMTVEELANITSGVIGLCSGVTGA
VTRLGIPEFCLQDGPIGPRGVHGSSQFPAGLTVAATWDRTLMYARARGMG
QEFHDQGVHLALAPVTGGPLGRTPLNGRGWEGTFADPYACGEASYLSVKG
LTDAGVATVSKHWIAYEQETSRNLYIDIDGVSQADIQLPISSNVDDLTMH
ELYMWSFAEAVRAGTNHIMCSYNRINNTHSCSNAKGLNQLLKTELNFQGG
VVSDWGGQWDSVPAAENGLDVAMPGKGFLGALGDFWGATLVELINNGTVS
EDLVRDKAVRILTGYYYLGQDTNPPPPFVYNTIGAPTLNATSGYRNVRKP
GTAELIKEIGSASVTLLKNTGSLPLKHPQRIAVLGNDATYNVLGPNACGL
ANSACDIDNLNGTLTTGGGSGSALSPYTITPLEALQKRAIEDNAEIAAVV
ANSNTTTGAEDAIAALLPDADVTFVFLNRYSEEGADAPDFSLGGDGDNLM
DLAVTYSSNVVVVIHTTGVVDIEKWADNPNVTAILVAYLPGQEAGNSLVP
VLYGDVAPSGKLPWTWGKSIDDYVPNGVVYTDAYSPQSNFTEGVFIDYRW
FDKMGITPRYEFGFGLSYTTFTYSNLIVDHGRWAKDYSSVMETAEPFAEW
DGTNSLYDVIFTVFATITNTGNLTGSEVAQLYISIPGDNQPVRQLRGFDK
IKDLPVGDSAVVTFPIRRKDVSSWSVVDQLWYVPNGDFLISVGGSSRDLP
LNTTWTP
Ligand information
Ligand IDXLS
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
InChIKeyPYMYPHUHKUWMLA-VPENINKCSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=CC(O)C(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)C=O
OpenEye OEToolkits 1.5.0C([C@H]([C@@H]([C@H](C=O)O)O)O)O
CACTVS 3.341OC[C@@H](O)[C@H](O)[C@@H](O)C=O
OpenEye OEToolkits 1.5.0C(C(C(C(C=O)O)O)O)O
FormulaC5 H10 O5
NameD-xylose;
D-XYLOSE (LINEAR FORM)
ChEMBLCHEMBL1236821
DrugBankDB09419
ZINCZINC000018168715
PDB chain8gyy Chain A Residue 912 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8gyy Bifunctional xylosidase/glucosidase LXYL with intermediate substrate xylose
Resolution2.07 Å
Binding residue
(original residue number in PDB)		D109 K207 Y268 D300 W301 S466 E529
Binding residue
(residue number reindexed from 1)		D63 K161 Y222 D254 W255 S420 E483
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.21: beta-glucosidase.
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:8gyy, PDBe:8gyy, PDBj:8gyy
PDBsum8gyy
PubMed
UniProtG8GLP2

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