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Structure of PDB 4l6i Chain B Binding Site BS01

Receptor Information >4l6i Chain B (length=290) Species: 6183 (Schistosoma mansoni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MSKVKVGIIGGSGFDDPNLFKKVGVRQVTTPFGKPSDTLVEGFVGDVACV VLPRHGKGHLIPPSEVNYRANVWALKDLGCTHILATNACGSLQEDLVPGD FVVLNQFMDKTWGRENTFYGSKPDSLKGVLHMPMAEPFCERTRQILIQAA RNKSINVYDKKTMDKSACIHPCVHAEGSAVTINGPRFSTRCESFIHKAMG LDIVNMTLVPEVSLAREAGLSYASIAIVTDFDCWKSEEEHVCVDMVLEQF RKSVVHVREILLEAVALIGAEDWTKTIEANKALVMSSRQD

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 4l6i Chain B Residue 301 [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 4l6i Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway. Resolution 2.1 Å Binding residue (original residue number in PDB) A88 C89 G90 F187 V204 N205 M206 D230 D232 V246 Binding residue (residue number reindexed from 1) A88 C89 G90 F187 V204 N205 M206 D230 D232 V246 Annotation score 5

Enzymatic activity Catalytic site (original residue number in PDB) K34 H59 D230 D232 Catalytic site (residue number reindexed from 1) K34 H59 D230 D232 Enzyme Commision number 2.4.2.28: S-methyl-5'-thioadenosine phosphorylase.

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0016757 glycosyltransferase activity GO:0016763 pentosyltransferase activity GO:0017061 S-methyl-5-thioadenosine phosphorylase activity

	Biological Process
GO:0006166	purine ribonucleoside salvage
GO:0009116	nucleoside metabolic process
GO:0019509	L-methionine salvage from methylthioadenosine

	Cellular Component
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005829	cytosol

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