Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

Structure of PDB 2qtt Chain A Binding Site BS01

Receptor Information >2qtt Chain A (length=248) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] SEILRPISSVVFVIAMQAEALPLVNKFGLSETTDSPLGKGLPWVLYHGVH KDLRINVVCPGRDAALGIDSVGTVPASLITFASIQALKPDIIINAGTCGG FKVKGANIGDVFLVSDVVFHDRRIPIPMFDLYGVGLRQAFSTPNLLKELN LKIGRLSTGDSLDMSTQDETLIIANDATLKDMEGAAVAYVADLLKIPVVF LKAVTDLVDGDKPTAEEFLQNLTVVTAALEGTATKVINFINGRNLSDL

Ligand information Ligand ID ADE InChI InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) InChIKey GFFGJBXGBJISGV-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 Nc1ncnc2[nH]cnc12 OpenEye OEToolkits 1.5.0 c1[nH]c2c(n1)c(ncn2)N ACDLabs 10.04 n1c(c2ncnc2nc1)N Formula C5 H5 N5 Name ADENINE ChEMBL CHEMBL226345 DrugBank DB00173 ZINC ZINC000000000882 PDB chain 2qtt Chain A Residue 268 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 2qtt Molecular determinants of substrate specificity in plant 5'-methylthioadenosine nucleosidases. Resolution 1.93 Å Binding residue (original residue number in PDB) C117 G118 L181 K199 D200 M201 D225 Binding residue (residue number reindexed from 1) C98 G99 L162 K180 D181 M182 D206 Annotation score 5

Enzymatic activity Enzyme Commision number 3.2.2.16: methylthioadenosine nucleosidase.

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0008930 methylthioadenosine nucleosidase activity GO:0016787 hydrolase activity

	Biological Process
GO:0009086	methionine biosynthetic process
GO:0009116	nucleoside metabolic process
GO:0010087	phloem or xylem histogenesis
GO:0019509	L-methionine salvage from methylthioadenosine

	Cellular Component
GO:0005829	cytosol
GO:0005886	plasma membrane

View graph for Molecular Function

View graph for Biological Process

View graph for Cellular Component