Structure of PDB 7f95 Chain A Binding Site BS02

Receptor Information
>7f95 Chain A (length=756) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QWPAPLANGGKSWASAFKKAKATVTEMTVEELANITSGVIGLCSGVTGAV
TRLGIPEFCLQDGPIGPRGVHGSSQFPAGLTVAATWDRTLMYARARGMGQ
EFHDQGVHLALAPVTGGPLGRTPLNGRGWEGTFADPYACGEASYLSVKGL
TDAGVATVSKHWIAYEQETSRNLYIDIDGVSQADIQLPISSNVDDLTMHE
LYMWSFAEAVRAGTNHIMCSYNRINNTHSCSNAKGLNQLLKTELNFQGGV
VSDWGGQWDSVPAAENGLDVAMPGKGFLGALGDFWGATLVELINNGTVSE
DLVRDKAVRILTGYYYLGQDTNPPPPFVYNTIGAPTLNATSGYRNVRKPG
TAELIKEIGSASVTLLKNTGSLPLKHPQRIAVLGNDATYNVLGPNACGLA
NSACDIDNLNGTLTTGGGSGSALSPYTITPLEALQKRAIEDNAEIAAVVA
NSNTTTGAEDAIAALLPDADVTFVFLNRYSEEGADAPDFSLGGDGDNLMD
LAVTYSSNVVVVIHTTGVVDIEKWADNPNVTAILVAYLPGQEAGNSLVPV
LYGDVAPSGKLPWTWGKSIDDYVPNGVVYTDAYSPQSNFTEGVFIDYRWF
DKMGITPRYEFGFGLSYTTFTYSNLIVDHGRWAKDYSSVMETAEPFAEWD
GTNSLYDVIFTVFATITNTGNLTGSEVAQLYISIPGDNQPVRQLRGFDKI
KDLPVGDSAVVTFPIRRKDVSSWSVVDQLWYVPNGDFLISVGGSSRDLPL
NTTWTP
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 chain7f95 Chain A 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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PDB7f95 Bifunctional xylosidase/glucosidase LXYL with intermediate substrate xylose
Resolution Å
Binding residue
(original residue number in PDB)		D109 R174 K207 D300 W301 E529
Binding residue
(residue number reindexed from 1)		D62 R127 K160 D253 W254 E482
Annotation score4
External links