Structure of PDB 5csu Chain B Binding Site BS06

Receptor Information
>5csu Chain B (length=518) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISVGEDFPSEYEQWLPVPDPESRRRAGVLLHPTSFRGPHGIGDLGEEAFR
FIDWLHSTGCSVWQVLPLVPPDEGGSPYAGQDANCGNTLLISLDELVKDG
LLIKDELPQPIDADSVNYQTANKLKSPLITKAAKRLIDGNGELKSKLLDF
RNDPSISCWLEDAAYFAAIDNTLNAYSWFEWPEPLKNRHLSALEAIYESQ
KEFIDLFIAKQFLFQRQWQKVREYARRQGVDIMGDMPIYVGYHSADVWAN
KKHFLLNKKGFPLLVSGVPPDLFSETGQLWGSPLYDWKAMESDQYSWWVN
RIRRAQDLYDECRIDHFRGFAGFWAVPSEAKVAMVGRWKVGPGKSLFDAI
SKGVGKIKIIAEDLGVITKDVVELRKSIGAPGMAVLQFAFGGGADNPHLP
HNHEVNQVVYSGTHDNDTIRGWWDTLDQEEKSKAMKYLSIAGEDDISWSV
IQAAFSSTAQTAIIPMQDILGLGSSARMNTPATEVGNWGWRIPSSTSFDN
LETESDRLRDLLSLYGRL
Ligand information
Ligand IDHMC
InChIInChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1
InChIKeyPJPGMULJEYSZBS-VZFHVOOUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(C(C(C1O)O)O)O)CO
ACDLabs 10.04OC1C(=CC(O)C(O)C1O)CO
OpenEye OEToolkits 1.5.0C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO
CACTVS 3.341OCC1=C[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
FormulaC7 H12 O5
Name5-HYDROXYMETHYL-CHONDURITOL
ChEMBLCHEMBL1233349
DrugBankDB03092
ZINC
PDB chain5csu Chain B Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5csu Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
Resolution2.53 Å
Binding residue
(original residue number in PDB)		Y136 W338 D373 H472 D473
Binding residue
(residue number reindexed from 1)		Y78 W280 D315 H414 D415
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D373 E420 D473
Catalytic site (residue number reindexed from 1) D315 E362 D415
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:5csu, PDBe:5csu, PDBj:5csu
PDBsum5csu
PubMed26504082
UniProtQ9LV91|DPE1_ARATH 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic (Gene Name=DPE1)

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