Structure of PDB 2rgm Chain B Binding Site BS02

Receptor Information
>2rgm Chain B (length=471) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WLGGLSRAAFPKRFVFGTVTSAYQVEGMAASGGRGPSIWDAFAHTPGNVA
GNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQE
GVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTE
YADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSA
TEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTE
DQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKG
SADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQAN
SNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTT
RVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVD
FNTLERHPKASAYWFRDMLKH
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 chain2rgm Chain B Residue 1386 [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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PDB2rgm Structural Insights into Rice BGlu1 beta-Glucosidase Oligosaccharide Hydrolysis and Transglycosylation
Resolution1.55 Å
Binding residue
(original residue number in PDB)		Q29 H130 N175 Y315 E386 W433 E440 F449
Binding residue
(residue number reindexed from 1)		Q24 H125 N170 Y310 E381 W428 E435 F444
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) R86 H130 E176 I179 N313 Y315 E386
Catalytic site (residue number reindexed from 1) R81 H125 E171 I174 N308 Y310 E381
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:2rgm, PDBe:2rgm, PDBj:2rgm
PDBsum2rgm
PubMed18308333
UniProtQ75I93|BGL07_ORYSJ Beta-glucosidase 7 (Gene Name=BGLU7)

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