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Structure of PDB 1odj Chain F Binding Site BS03

Receptor Information >1odj Chain F (length=234) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] SPIHVRAHPGDVAERVLLPGDPGRAEWIAKTFLQNPRRYNDHRGLWGYTG LYKGVPVSVQTTGMGTPSAAIVVEELVRLGARVLVRVGTAGAASSDLAPG ELIVAQGAVPLDGTTRQYLEGRPYAPVPDPEVFRALWRRAEALGYPHRVG LVASEDAFYATTPEEARAWARYGVLAFEMEASALFLLGRMRGVRTGAILA VSNRIGDPELAPPEVLQEGVRRMVEVALEAVLEV

Ligand information Ligand ID GMP InChI InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 InChIKey NYHBQMYGNKIUIF-UUOKFMHZSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.5 c1nc2c(n1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N CACTVS 3.385 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O ACDLabs 10.04 O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)CO OpenEye OEToolkits 1.7.5 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N CACTVS 3.385 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O Formula C10 H13 N5 O5 Name GUANOSINE ChEMBL CHEMBL375655 DrugBank DB02857 ZINC ZINC000001550030 PDB chain 1odj Chain F Residue 1237 [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 1odj Crystal Structure of Purine Nucleoside Phosphorylase from Thermus Thermophilus Resolution 2.4 Å Binding residue (original residue number in PDB) T90 A91 G92 E156 F159 F178 E179 M180 E181 Binding residue (residue number reindexed from 1) T89 A90 G91 E155 F158 F177 E178 M179 E180 Annotation score 1 Binding affinity MOAD: Kd=80uM

Enzymatic activity Catalytic site (original residue number in PDB) H5 G21 R25 R44 E76 R87 T90 S203 N204 I206 L217 Catalytic site (residue number reindexed from 1) H4 G20 R24 R43 E75 R86 T89 S202 N203 I205 L216 Enzyme Commision number 2.4.2.3: uridine phosphorylase.

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0016757 glycosyltransferase activity GO:0016763 pentosyltransferase activity

	Biological Process
GO:0009116	nucleoside metabolic process
GO:0009164	nucleoside catabolic process

	Cellular Component
GO:0005829	cytosol

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