Structure of PDB 3ptm Chain A Binding Site BS01

Receptor Information
>3ptm Chain A (length=478) Species: 4530 (Oryza sativa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVSRRSFPKGFIFGTASSSYQYEGGAAEGGRGPSIWDTFTHQHPEKIADR
SNGDVASDSYHLYKEDVRLMKDMGMDAYRFSISWTRILPNGSLRGGVNKE
GIKYYNNLINELLSKGVQPFITLFHWDSPQALEDKYNGFLSPNIINDFKD
YAEICFKEFGDRVKNWITFNEPWTFCSNGYATGLFAPGRCSPWEKGNCSV
GDSGREPYTACHHQLLAHAETVRLYKAKYQALQKGKIGITLVSHWFVPFS
RSKSNNDAAKRAIDFMFGWFMDPLIRGDYPLSMRGLVGNRLPQFTKEQSK
LVKGAFDFIGLNYYTANYADNLPPSNGLNNSYTTDSRANLTGVRNGIPIG
PQAASPWLYVYPQGFRDLLLYVKENYGNPTVYITENGVDEFNNKTLPLQE
ALKDDARIEYYHKHLLSLLSAIRDGANVKGYFAWSLLDNFEWSNGYTVRF
GINFVDYNDGRKRYPKNSAHWFKKFLLK
Ligand information
Ligand IDG2F
InChIInChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1
InChIKeyZCXUVYAZINUVJD-UKFBFLRUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)O)F)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O
CACTVS 3.370OC[C@H]1O[C@H](O)[C@H](F)[C@@H](O)[C@@H]1O
ACDLabs 12.01FC1C(O)C(O)C(OC1O)CO
FormulaC6 H11 F O5
Name2-deoxy-2-fluoro-alpha-D-glucopyranose;
2-deoxy-2-fluoro-alpha-D-glucose;
2-deoxy-2-fluoro-D-glucose;
2-deoxy-2-fluoro-glucose
ChEMBLCHEMBL1086863
DrugBankDB04282
ZINCZINC000003809846
PDB chain3ptm Chain A Residue 1000 [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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PDB3ptm The crystal structure of rice (Oryza sativa L.) Os4BGlu12, an oligosaccharide and tuberonic acid glucoside-hydrolyzing beta-glucosidase with significant thioglucohydrolase activity
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Q29 H133 N178 E179 Y322 E393 W442 E449 W450
Binding residue
(residue number reindexed from 1)		Q21 H125 N170 E171 Y314 E385 W434 E441 W442
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R87 H133 E179 T182 N320 Y322 E393
Catalytic site (residue number reindexed from 1) R79 H125 E171 T174 N312 Y314 E385
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004338 glucan exo-1,3-beta-glucosidase activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033907 beta-D-fucosidase activity
GO:0047701 beta-L-arabinosidase activity
GO:0080083 beta-gentiobiose beta-glucosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ptm, PDBe:3ptm, PDBj:3ptm
PDBsum3ptm
PubMed21521631
UniProtB8AVF0|BGL12_ORYSI Beta-glucosidase 12 (Gene Name=BGLU12)

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