Structure of PDB 3cx4 Chain A Binding Site BS11

Receptor Information
>3cx4 Chain A (length=476) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQVLHVCSEMFPLLKTGGLADVIGALPAAQIADGVDARVLLPAFPDIRRG
VTDAQVVSRRDTFAGHITLLFGHYNGVGIYLIDAPHLYDRPGSPYHDTNL
FAYTDNVLRFALLGWVGAEMASGLDPFWRPDVVHAHDWHAGLAPAYLAAR
GRPAKSVFTVHNLAYQGMFYAHHMNDIQLPWSFFNIHGLEFNGQISFLKA
GLYYADHITAVSPTYAREITEPQFAYGMEGLLQQRHREGRLSGVLNGVDE
KIWSPETDLLLASRYTRDTLEDKAENKRQLQIAMGLKVDDKVPLFAVVSR
LTSQKGLDLVLEALPGLLEQGGQLALLGAGDPVLQEGFLAAAAEYPGQVG
VQIGYHEAFSHRIMGGADVILVPSRFAPCGLTQLYGLKYGTLPLVRRTGG
LADTVSDCSLENLADGVASGFVFEDSNAWSLLRAIRRAFVLWSRPSLWRF
VQRQAMAMDFSWQVAAKSYRELYYRL
Ligand information
Ligand ID250
InChIInChI=1S/C9H20N2O5S/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16/h9,12-13H,1-8H2,(H,14,15,16)/t9-/m1/s1
InChIKeyGIZQLVPDAOBAFN-SECBINFHSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CC(O)CN1CCN(CCO)CC1
OpenEye OEToolkits 1.5.0C1CN(CCN1CCO)CC(CS(=O)(=O)O)O
OpenEye OEToolkits 1.5.0C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O
CACTVS 3.341OCCN1CCN(CC1)C[CH](O)C[S](O)(=O)=O
CACTVS 3.341OCCN1CCN(CC1)C[C@@H](O)C[S](O)(=O)=O
FormulaC9 H20 N2 O5 S
Name(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
ChEMBL
DrugBank
ZINCZINC000095953051
PDB chain3cx4 Chain A Residue 517 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3cx4 Oligosaccharide binding in Escherichia coli glycogen synthase.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		Y226 S303 Q304 F376
Binding residue
(residue number reindexed from 1)		Y226 S303 Q304 F376
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.21: starch synthase.
Gene Ontology
Molecular Function
GO:0004373 alpha-1,4-glucan glucosyltransferase (UDP-glucose donor) activity
GO:0009011 alpha-1,4-glucan glucosyltransferase (ADP-glucose donor) activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0005978 glycogen biosynthetic process
GO:0006974 DNA damage response
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3cx4, PDBe:3cx4, PDBj:3cx4
PDBsum3cx4
PubMed19761218
UniProtP0A6U8|GLGA_ECOLI Glycogen synthase (Gene Name=glgA)

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