Structure of PDB 7ey2 Chain D Binding Site BS02

Receptor Information
>7ey2 Chain D (length=756) Species: 5353 (Lentinula edodes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WPAPLANGGKSWASAFKKAKATVTEMTVEELANITSGVIGLCSGVTGAVT
RLGIPEFCLQDGPIGPRGVHGSSQFPAGLTVAATWDRTLMYARARGMGQE
FHDQGVHLALAPVTGGPLGRTPLNGRGWEGTFADPYACGEASYLSVKGLT
DAGVATVSKHWIAYEQETSRNLYIDIDGVSQADIQLPISSNVDDLTMHEL
YMWSFAEAVRAGTNHIMCSYNRINNTHSCSNAKGLNQLLKTELNFQGGVV
SNWGGQWDSVPAAENGLDVAMPGKGFLGALGDFWGATLVELINNGTVSED
LVRDKAVRILTGYYYLGQDTNPPPPFVYNTIGAPTLNATSGYRNVRKPGT
AELIKEIGSASVTLLKNTGSLPLKHPQRIAVLGNDATYNVLGPNACGLAN
SACDIDNLNGTLTTGGGSGSALSPYTITPLEALQKRAIEDNAEIAAVVAN
SNTTTGAEDAIAALLPDADVTFVFLNRYSEEGADAPDFSLGGDGDNLMDL
AVTYSSNVVVVIHTTGVVDIEKWADNPNVTAILVAYLPGQEAGNSLVPVL
YGDVAPSGKLPWTWGKSIDDYVPNGVVYTDAYSPQSNFTEGVFIDYRWFD
KMGITPRYEFGFGLSYTTFTYSNLIVDHGRWAKDYSSVMETAEPFAEWDG
TNSLYDVIFTVFATITNTGNLTGSEVAQLYISIPGDNQPVRQLRGFDKIK
DLPVGDSAVVTFPIRRKDVSSWSVVDQLWYVPNGDFLISVGGSSRDLPLN
TTWTPH
Ligand information
Ligand IDXYL
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+
InChIKeyHEBKCHPVOIAQTA-SCDXWVJYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H](C([C@@H](CO)O)O)O)O
OpenEye OEToolkits 1.5.0C(C(C(C(CO)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CO
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)CO
ACDLabs 10.04OC(CO)C(O)C(O)CO
FormulaC5 H12 O5
NameXylitol;
D-Xylitol
ChEMBLCHEMBL96783
DrugBankDB11195
ZINCZINC000100018612
PDB chain7ey2 Chain D Residue 907 [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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PDB7ey2 Bifunctional xylosidase/glucosidase LXYL with intermediate substrate xylose
Resolution2.43 Å
Binding residue
(original residue number in PDB)		D109 L158 R174 N300 W301 E529
Binding residue
(residue number reindexed from 1)		D61 L110 R126 N252 W253 E481
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:7ey2, PDBe:7ey2, PDBj:7ey2
PDBsum7ey2
PubMed
UniProtG8GLP2

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