Structure of PDB 5u7w Chain A Binding Site BS01

Receptor Information
>5u7w Chain A (length=404) Species: 3899 (Trifolium repens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITSYAVVFDAGSTGSRVHVYHFDQNLDLLHIGKDVEFYNKIQPGLSAYAD
NPEQAAKSLIPLLEQAENVVPEDFHSKTPIRLGATGLRLLDGDASERILQ
AVRDMLNNKSTFNVQPDAVSIIDGTQEGSYLWVTINYVLGNLGKRFTNTV
GVIDLGGGSVQMAYAVSKKTARNAPKEDPYIKKIVLKGKPYDLYVHSYLH
FGREASRAEILKVTHGSASPCILAGFDGIYTYSGEEFKASAPTSGANFDK
CKKIIQKALKLDYPCPYQNCTFGGIWNGGGGSGQKKLFAASSFFYLPQDV
GMVDPNKSNLKLRPVDLENKAKIVCTLNVEDVKSAYPLLEKFNIVPYACM
DLIYQYELLVDGFGLDPLQEITAGEKIEYQEALVDAAWALGNAVEAVLLL
PKFE
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain5u7w Chain A Residue 501 [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]
PDB5u7w Structures and kinetics for plant nucleoside triphosphate diphosphohydrolases support a domain motion catalytic mechanism.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		Y303 D307 F350
Binding residue
(residue number reindexed from 1)		Y295 D299 F342
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.5: apyrase.
Gene Ontology
Molecular Function
GO:0004050 apyrase activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:5u7w, PDBe:5u7w, PDBj:5u7w
PDBsum5u7w
PubMed28543850
UniProtB9U139

[Back to BioLiP]