Structure of PDB 5cpt Chain B Binding Site BS01

Receptor Information
>5cpt Chain B (length=511) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVGEDFPSEYEQWLPVPDPESRRRAGVLLHPTSFRGPHGIGDLGEEAFRF
IDWLHSTGCSVWQVLPLVPPDEGGSPYAGQDANCGNTLLISLDELVKDGL
LIKDELPQPIDADSVNYQTANKLKSPLITKAAKRLIDGNGELKSKLLDFR
NDPSISCWLEDAAYFAAIDNTLNAYSWFEWPEPLKNRHLSALEAIYESQK
EFIDLFIAKQFLFQRQWQKVREYARRQGVDIMGDMPIYVGYHSADVWANK
KHFLLNKKGFPLLVSGVPPGQLWGSPLYDWKAMESDQYSWWVNRIRRAQD
LYDECRIDHFRGFAGFWAVPSEAKVAMVGRWKVGPGKSLFDAISKGVGKI
KIIAEDLGVITKDVVELRKSIGAPGMAVLQFAFGGGADNPHLPHNHEVNQ
VVYSGTHDNDTIRGWWDTLDQEEKSKAMKYLSIAGEDDISWSVIQAAFSS
TAQTAIIPMQDILGLGSSARMNTPATEVGNWGWRIPSSTSFDNLETESDR
LRDLLSLYGRL
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 chain5cpt 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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PDB5cpt Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y136 D373 H472 D473
Binding residue
(residue number reindexed from 1)		Y77 D308 H407 D408
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D373 E420 D473
Catalytic site (residue number reindexed from 1) D308 E355 D408
Enzyme Commision number 2.4.1.25: 4-alpha-glucanotransferase.
Gene Ontology
Molecular Function
GO:0004134 4-alpha-glucanotransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0000025 maltose catabolic process
GO:0005975 carbohydrate metabolic process
GO:0005983 starch catabolic process
GO:0006006 glucose metabolic process
Cellular Component
GO:0009501 amyloplast
GO:0009507 chloroplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5cpt, PDBe:5cpt, PDBj:5cpt
PDBsum5cpt
PubMed26504082
UniProtQ9LV91|DPE1_ARATH 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic (Gene Name=DPE1)

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