Structure of PDB 7eaw Chain B Binding Site BS01

Receptor Information
>7eaw Chain B (length=556) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSGPVVATTKLVTFLQRVQHTALRSYPKKQTPDPKSYIDLSLKRPYSLST
IESAFDDLTSESHQPVPVETLEKFVKEYFDGAGEDLLHHEPVDFVSDPSG
FLSNVENEEVREWAREVHGLWRNLSCRVSDSVRESADRHTLLPLPEPVII
PGSRFREVYYWDSYWVIKGLMTSQMFTTAKGLVTNLMSLVETYGYALNGA
RAYYTNRSQPPLLSSMVYEIYNVTKDEELVRKAIPLLLKEYEFWNSGKHK
VVIRDANGYDHVLSRYYAMWNKPRPESSVFDEESASGFSTMLEKQRFHRD
IATAAESGCAFSTRWMRDPPNFTTMATTSVVPVDLNVFLLKMELDIAFMM
KVSGDQNGSDRFVKASKAREKAFQTVFWNEKAGQWLDYWLSSSGEESETW
KAENQNTNVFASNFAPIWINSINSDENLVKKVVTALKNSGLIAPAGILTS
LTNSGQQWDSPNGWAPQQEMIVTGLGRSSVKEAKEMAEDIARRWIKSNYL
VYKKSGTIHEKLKVTELGEYGGGGEYMPQTGFGWSNGVILAFLEEYGWPS
HLSIEA
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain7eaw Chain D Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7eaw pH-dependent alteration of substrate specificity of plant trehalase and its molecular mechanism
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F225 Y229 N268 Y274 R277 R344 E346 E595 Y596
Binding residue
(residue number reindexed from 1)		F155 Y159 N198 Y204 R207 R274 E276 E525 Y526
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.28: alpha,alpha-trehalase.
Gene Ontology
Molecular Function
GO:0004555 alpha,alpha-trehalase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005991 trehalose metabolic process
GO:0005993 trehalose catabolic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7eaw, PDBe:7eaw, PDBj:7eaw
PDBsum7eaw
PubMed
UniProtQ9SU50|TRE1_ARATH Trehalase (Gene Name=TRE1)

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