Structure of PDB 7q13 Chain C Binding Site BS03

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 IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain7q13 Chain C Residue 802 [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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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)		K39 G41 G42 R331 F481 Y493 Y514 T515 E518
Binding residue
(residue number reindexed from 1)		K11 G13 G14 R303 F453 Y465 Y486 T487 E490
Annotation score3
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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