Structure of PDB 4pyh Chain A Binding Site BS04

Receptor Information
>4pyh Chain A (length=293) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMYRHELGMNYNFIRPDLIVGSCLQTPEDVDKLRKIGVKTIFCLQQDP
DLEYFGVDISSIQAYAKKYSDIQHIRCEIRDFDAFDLRMRLPAVVGTLYK
AVKRNGGVTYVHSTAGMGRAPAVALTYMFWVQGYKLMEAHKLLMSKRSCF
PKLDAIRNATIDILTGLKRKTVTLTLKDKGFSRVEISGLDIGWGQRIPLT
LDKGTGFWILKRELPEGQFEYKYIIDGEWTHNEAEPFIGPNKDGHTNNYA
KVVDDPTSVDGTTRERLSSEDPELLEEERSKLIQFLETCSEAE
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 chain4pyh Chain B Residue 5 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4pyh Phosphoglucan-bound structure of starch phosphatase Starch Excess4 reveals the mechanism for C6 specificity.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H88 M89 Y90 D166 F167 M202
Binding residue
(residue number reindexed from 1)		H3 M4 Y5 D81 F82 M117
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.3.-
Gene Ontology
Molecular Function
GO:0019203 carbohydrate phosphatase activity
Biological Process
GO:0006470 protein dephosphorylation
GO:0016311 dephosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4pyh, PDBe:4pyh, PDBj:4pyh
PDBsum4pyh
PubMed24799671
UniProtQ9FEB5|DSPG4_ARATH Phosphoglucan phosphatase DSP4, chloroplastic (Gene Name=DSP4)

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