Structure of PDB 7d6b Chain A Binding Site BS01

Receptor Information
>7d6b Chain A (length=475) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIHRSDFPASFLFGTATSSYQIEGAYLEGNKSLSNWDVFTHLPGNIKDGS
NGDIADDHYHRYEEDVELMNSLGVNAYRFSISWSRILPKGRFGGVNPAGI
DFYNKLIDSILLKGIQPFVTLTHYDIPQELEDRYGAWLNAEIQSDFGHFA
DVCFGAFGDRVKYWTTFNEPNVAVRHGYMLGTYPPSRCSPPFGHCARGGD
SHAEPYVAAHNVILSHATAIEIYKRKYQSKQRGMIGMVLYSTWYEPLRDV
PEDRLATERALAFETPWFLDPLVYGDYPPEMRQILGGRLPSFSPEDRRKL
RYKLDFIGVNHYTTLYARDCMFSDCPQGQETQHALAAVTGESNGLPIGTP
TAMPTFYVVPDGIEKMVKYFMRRYNNLPMFITENGYAQGGDSYTDAEDWI
DDEDRIEYLEGYLTKLAKVIRDGADVRGYFAWSVVDNFEWLFGYTLRFGL
YYIDYRTQERSPKLSALWYKEFLQN
Ligand information
Ligand IDLGC
InChIInChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
InChIKeyPHOQVHQSTUBQQK-SQOUGZDYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O
CACTVS 3.341OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.341OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04O=C1OC(CO)C(O)C(O)C1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(=O)O1)O)O)O)O
FormulaC6 H10 O6
NameD-glucono-1,5-lactone;
(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-ONE;
GLUCONOLACTONE
ChEMBLCHEMBL1200829
DrugBankDB04564
ZINCZINC000002539702
PDB chain7d6b Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7d6b Structural analysis of rice Os4BGlu18 monolignol beta-glucosidase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q46 H148 N193 E194 Y337 E408 W457 E464 F473
Binding residue
(residue number reindexed from 1)		Q21 H123 N168 E169 Y312 E383 W432 E439 F448
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7d6b, PDBe:7d6b, PDBj:7d6b
PDBsum7d6b
PubMed33471829
UniProtQ7XSK0|BGL18_ORYSJ Beta-glucosidase 18 (Gene Name=BGLU18)

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