Structure of PDB 4rem Chain A Binding Site BS01

Receptor Information
>4rem Chain A (length=446) Species: 43366 (Clitoria ternatea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKNKQHVAIFPFPFGSHLPPLLNLVLKLAHIAPNTSFSFIGTHSSNAFLF
TKRHIPNNIRVFTISDGIPEGHVPANNPIEKLDLFLSTGPDNLRKGIELA
VAETKQSVTCIIADAFVTSSLLVAQTLNVPWIAFWPNVSCSLSLYFNIDL
IRDKCSKDAKNATLDFLPGLSKLRVEDVPQDMLDVGEKETLFSRTLNSLG
VVLPQAKAVVVNFFAELDPPLFVKYMRSKLQSLLYVVPLPCPQLLLPEID
SNGCLSWLDSKSSRSVAYVCFGTVVSPPPQEVVAVAEALEESGFPFVWAL
KESLLSILPKGFVERTSTRGKVVSWVPQSHVLSHGSVGVFVTHCGANSVM
ESVSNGVPMICRPFFGDQGIAARVIQDIWEVGVIVEGKVFTKNGFVKSLN
LILVQEDGKKIRDNALKVKQIVQDAVGPHGQAAEDFNTLVEVISSS
Ligand information
Ligand IDDLM
InChIInChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1
InChIKeyJKHRCGUTYDNCLE-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3
ACDLabs 12.01Oc1cc(cc(O)c1O)c3[o+]c2cc(O)cc(O)c2cc3O
OpenEye OEToolkits 1.7.6c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O
FormulaC15 H11 O7
Name3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium;
Delphinidin
ChEMBLCHEMBL276780
DrugBank
ZINCZINC000003777403
PDB chain4rem Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4rem Structural basis for acceptor-substrate recognition of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
Resolution2.55 Å
Binding residue
(original residue number in PDB)		H17 P78 L82 F116 N137 D181 F192 L196 G366 D367
Binding residue
(residue number reindexed from 1)		H17 P78 L82 F116 N137 D181 F192 L196 G366 D367
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4rem, PDBe:4rem, PDBj:4rem
PDBsum4rem
PubMed25556637
UniProtA4F1R4

[Back to BioLiP]