Structure of PDB 4qlj Chain B Binding Site BS02

Receptor Information
>4qlj Chain B (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
EYADFCFKTFGNRVKHWFTFNEPRIVALLGYDAGTNPPKRCTKCAAGGNS
ATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNST
EDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVK
GSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTAVFAKNGKPIGPQA
NSNWLYIVPWGMYGCVNYIKQKYGNPTVVITGNGMDQPANLSRDQYLRDT
TRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYV
DFNTLERHPKASAYWFRDMLKH
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain4qlj Chain E Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4qlj Effects of active site cleft residues on oligosaccharide binding, hydrolysis, and glycosynthase activities of rice BGlu1 and its mutants
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Q29 H130 N175 E176 Y315 W433 E440 W441 F449
Binding residue
(residue number reindexed from 1)		Q25 H126 N171 E172 Y311 W429 E436 W437 F445
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R86 H130 E176 I179 N313 Y315 G386
Catalytic site (residue number reindexed from 1) R82 H126 E172 I175 N309 Y311 G382
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4qlj, PDBe:4qlj, PDBj:4qlj
PDBsum4qlj
PubMed25252199
UniProtQ75I93|BGL07_ORYSJ Beta-glucosidase 7 (Gene Name=BGLU7)

[Back to BioLiP]