Structure of PDB 7q13 Chain C Binding Site BS02

Receptor Information
>7q13 Chain C (length=590) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LFEVAWEVANKVGGIYTVLQTKAKVTGDEWGDNYFLVGPYTEQGVRTQVE
LLEAPTPALKRTLDSMNSKGCKVYFGRWLIEGGPLVVLLDVGASAWALER
WKGELWDTCNIGVPWYDREANDAVLFGFLTTWFLGEFLAQSEEKPHVVAH
FHEWLAGVGLCLCRARRLPVATIFTTHATLLGRYLCAGAVDFYNNLENFN
VDKEAGERQIYHRYCMERAAAHCAHVFTTVSQITAIEAQHLLKRKPDIVT
PNGLNVKKFSAMHEFQNLHAQSKARIQEFVRGHFYGHLDFNLDKTLYFFI
AGRYEFSNKGADVFLEALARLNYLLRVNGSEQTVVAFFIMPARTNNFNVE
TLKGQAVRKQLWDTANTVKEKFGRKLYESLLVGSLPDMNKMLDKEDFTMM
KRAIFATQRQSFPPVCTHNMLDDSSDPILTTIRRIGLFNSSADRVKVIFH
PEFLSSTSPLLPVDYEEFVRGCHLGVFPSYYEPWGYTPAECTVMGIPSIS
TNLSGFGCFMEEHIADPSAYGIYILDRRFRSLDDSCSQLTSFLYSFCQQS
RRQRIIQRNRTERLSDLLDWKYLGRYYMSARHMALSKAFP
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 chain7q13 Chain C Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q13 Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Q294 H297 A298 K301 H501 R579 R582 R586
Binding residue
(residue number reindexed from 1)		Q266 H269 A270 K273 H473 R551 R554 R558
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7q13, PDBe:7q13, PDBj:7q13
PDBsum7q13
PubMed35835870
UniProtP13807|GYS1_HUMAN Glycogen [starch] synthase, muscle (Gene Name=GYS1)

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