Structure of PDB 7q0s Chain B Binding Site BS01

Receptor Information
>7q0s Chain B (length=620) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGLEDWEDEFDLENAVLFEVAWEVANKVGGIYTVLQTKAKVTGDEWGDNY
FLVGPYTEQGVRTQVELLEAPTPALKRTLDSMNSKGCKVYFGRWLIEGGP
LVVLLDVGASAWALERWKGELWDTCNIGVPWYDREANDAVLFGFLTTWFL
GEFLAQSEEKPHVVAHFHEWLAGVGLCLCRARRLPVATIFTTHATLLGRY
LCAGAVDFYNNLENFNVDKEAGERQIYHRYCMERAAAHCAHVFTTVSQIT
AIEAQHLLKRKPDIVTPNGLNVKKFSAFQNLHAQSKARIQEFVRGHFYGH
LDFNLDKTLYFFIAGRYEFSNKGADVFLEALARLNYLLRVNGSEQTVVAF
FIMPARTNNFNVETLKGQAVRKQLWDTANTVKEKFGRKLYESLLVGSLPD
MNKMLDKEDFTMMKRAIFATQRQSFPPVCTHNMLDDSSDPILTTIRRIGL
FNSSADRVKVIFHPEFLSSTSPLLPVDYEEFVRGCHLGVFPSYYEPWGYT
PAECTVMGIPSISTNLSGFGCFMEEHIADPSAYGIYILDRRFRSLDDSCS
QLTSFLYSFCQQSRRQRIIQRNRTERLSDLLDWKYLGRYYMSARHMALSK
AFPEHFTYEPNEADPRPASV
Ligand information
Ligand IDG6P
InChIInChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKeyNBSCHQHZLSJFNQ-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
FormulaC6 H13 O9 P
Name6-O-phosphono-alpha-D-glucopyranose;
ALPHA-D-GLUCOSE-6-PHOSPHATE;
6-O-phosphono-alpha-D-glucose;
6-O-phosphono-D-glucose;
6-O-phosphono-glucose
ChEMBL
DrugBankDB02007
ZINCZINC000003875375
PDB chain7q0s Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q0s Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		Q294 H297 K301 H501
Binding residue
(residue number reindexed from 1)		Q279 H282 K286 H486
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.11: glycogen(starch) synthase.
Gene Ontology
Molecular Function
GO:0004373 alpha-1,4-glucan glucosyltransferase (UDP-glucose donor) activity
GO:0005515 protein binding
GO:0005536 D-glucose binding
GO:0016757 glycosyltransferase activity
GO:0061547 glycogen synthase activity, transferring glucose-1-phosphate
Biological Process
GO:0005977 glycogen metabolic process
GO:0005978 glycogen biosynthetic process
GO:0007507 heart development
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane
GO:0016234 inclusion body

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7q0s, PDBe:7q0s, PDBj:7q0s
PDBsum7q0s
PubMed35835870
UniProtP13807|GYS1_HUMAN Glycogen [starch] synthase, muscle (Gene Name=GYS1)

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