Structure of PDB 4kq2 Chain D Binding Site BS01

Receptor Information
>4kq2 Chain D (length=636) Species: 764101 (Saccharomyces cerevisiae FostersO) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRDLQNHLLFETATEVANRVGGIYSVLKSKAPITVAQYKDHYHLIGPLNK
ATYQNEVDILDWKKPEAFSDEMRPVQHALQTMESRGVHFVYGRWLIEGAP
KVILFDLDSVRGYSNEWKGDLWSLVGIPSPENDFETNDAILLGYTVAWFL
GEVAHLDSQHAIVAHFHEWLAGVALPLCRKRRIDVVTIFTTHATLLGRYL
CASGDFYNCLESVDVDHEAGRFGIYHRYCIERAAAHSADVFTTVSQITAF
EAEHLLKRKPDGILPNGLNVIKFQAFHEFQNLHALKKEKINDFVRGHFHG
CFDFDLDNTLYFFIAGRYEYKNKGADMFIEALARLNYRLKVSGSKKTVVA
FIVMPAKNNSFTVEALKGQAEVRALENTVHEVTTSIGKRIFDHAIRYPHN
GLTTELPTDLGELLKSSDKVMLKRRILALRRPEGQLPPIVTHNMVDDAND
LILNKIRQVQLFNSPSDRVKMIFHPEFLNANNPILGLDYDEFVRGCHLGV
FPSYYEPWGYTPAECTVMGVPSITTNVSGFGSYMEDLIETNQAKDYGIYI
VDRRFKAPDESVEQLVDYMEEFVKKTRRQRINQRNATEALSDLLDWKRMG
LEYVKARQLALRRGYPDQFRELVGEELNDSNMDALA
Ligand information
Ligand IDU5P
InChIInChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyDJJCXFVJDGTHFX-XVFCMESISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
FormulaC9 H13 N2 O9 P
NameURIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL214393
DrugBankDB03685
ZINCZINC000002123545
PDB chain4kq2 Chain D Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kq2 Structural basis for 2'-phosphate incorporation into glycogen by glycogen synthase.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		G319 R320 K326 F480 Y492 T514 E517
Binding residue
(residue number reindexed from 1)		G316 R317 K323 F477 Y489 T511 E514
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:0016757 glycosyltransferase activity
GO:0042802 identical protein binding
GO:2001069 glycogen binding
Biological Process
GO:0005978 glycogen biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0042587 glycogen granule

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4kq2, PDBe:4kq2, PDBj:4kq2
PDBsum4kq2
PubMed24324135
UniProtP27472|GYS2_YEAST Glycogen [starch] synthase isoform 2 (Gene Name=GSY2)

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