Structure of PDB 3ahv Chain A Binding Site BS01

Receptor Information
>3ahv Chain A (length=472) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NWLGGLSRAAFPKRFVFGTVTSAYQVEGMAASGGRGPSIWDAFAHTPGNV
AGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQ
EGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFT
EYADFCFKTFGNRVKHWFTFNQPRIVALLGYDQGTNPPKRCTKCAAGGNS
ATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNST
EDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVK
GSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQA
NSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDT
TRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYV
DFNTLERHPKASAYWFRDMLKH
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 chain3ahv 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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PDB3ahv The structural basis of oligosaccharide binding by rice BGlu1 beta-glucosidase
Resolution1.89 Å
Binding residue
(original residue number in PDB)		Q29 H130 N175 Y315 E386 W433 E440 F449
Binding residue
(residue number reindexed from 1)		Q25 H126 N171 Y311 E382 W429 E436 F445
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) R86 H130 Q176 I179 N313 Y315 E386
Catalytic site (residue number reindexed from 1) R82 H126 Q172 I175 N309 Y311 E382
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0004567 beta-mannosidase activity
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033907 beta-D-fucosidase activity
GO:0042803 protein homodimerization activity
GO:0042973 glucan endo-1,3-beta-D-glucosidase activity
GO:0047668 amygdalin beta-glucosidase activity
GO:0047701 beta-L-arabinosidase activity
GO:0050224 prunasin beta-glucosidase activity
GO:0080079 cellobiose glucosidase 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:3ahv, PDBe:3ahv, PDBj:3ahv
PDBsum3ahv
PubMed20884352
UniProtQ75I93|BGL07_ORYSJ Beta-glucosidase 7 (Gene Name=BGLU7)

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