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Structure of PDB 1k9s Chain A Binding Site BS01

Receptor Information >1k9s Chain A (length=237) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] ATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTG TYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKL RDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARV GNLFSADLFYSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTIC TVSDHIRTHEQTTAAERQTTFNDMIKIALESVLLGDK

Ligand information Ligand ID PO4 InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 InChIKey NBIIXXVUZAFLBC-UHFFFAOYSA-K SMILES Software SMILES CACTVS 3.341 [O-][P]([O-])([O-])=O ACDLabs 10.04 [O-]P([O-])([O-])=O OpenEye OEToolkits 1.5.0 [O-]P(=O)([O-])[O-] Formula O4 P Name PHOSPHATE ION ChEMBL DrugBank DB14523 ZINC PDB chain 1k9s Chain A Residue 9902 [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 1k9s Open and closed conformation of the E. coli purine nucleoside phosphorylase active center and implications for the catalytic mechanism. Resolution 2.0 Å Binding residue (original residue number in PDB) G20 R24 R87 G89 S90 Binding residue (residue number reindexed from 1) G20 R24 R87 G89 S90 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) H4 G20 R24 R43 E75 R87 S90 S203 D204 I206 R217 Catalytic site (residue number reindexed from 1) H4 G20 R24 R43 E75 R87 S90 S203 D204 I206 R217 Enzyme Commision number 2.4.2.1: purine-nucleoside phosphorylase.

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0004731 purine-nucleoside phosphorylase activity GO:0016757 glycosyltransferase activity GO:0016763 pentosyltransferase activity GO:0042802 identical protein binding GO:0047975 guanosine phosphorylase activity

	Biological Process
GO:0006139	nucleobase-containing compound metabolic process
GO:0006152	purine nucleoside catabolic process
GO:0006974	DNA damage response
GO:0009116	nucleoside metabolic process
GO:0009164	nucleoside catabolic process
GO:0019686	purine nucleoside interconversion
GO:0042278	purine nucleoside metabolic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0016020	membrane

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