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Structure of PDB 6f4x Chain F Binding Site BS02

Receptor Information >6f4x Chain F (length=224) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MTPHINAKIGDFYPQCLLCGDPLRVSYIAKKFLQDAKEITNVRNMLGFSG KYKGRGISLMGHGMGIASCTIYVTELIKTYQVKELLRIGTCGAISPKVGL KDIIMATGASTDSKTNRVRFLNHDLSATPDFELSLRAYQTAKRLGIDLKV GNVFSSDFFYSFETHAFDLMAKYNHLAIEMEAAGLYATAMELNAKALCLC SVSDHLITKESFDNMIILALEMMS

Ligand information Ligand ID FMC InChI InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1 InChIKey KBHMEHLJSZMEMI-KSYZLYKTSA-N SMILES Software SMILES CACTVS 3.370 Nc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O CACTVS 3.370 Nc1ncnc2c1[nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O ACDLabs 12.01 OC1C(OC(CO)C1O)c3nnc2c3ncnc2N OpenEye OEToolkits 1.7.0 c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)CO)O)O OpenEye OEToolkits 1.7.0 c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O Formula C10 H13 N5 O4 Name (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol ChEMBL CHEMBL471524 DrugBank DB02281 ZINC ZINC000018275505 PDB chain 6f4x Chain F 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 6f4x Helicobacter pylori purine nucleoside phosphorylase shows new distribution patterns of open and closed active site conformations and unusual biochemical features. Resolution 1.694 Å Binding residue (original residue number in PDB) M64 T90 C91 G92 F159 E179 M180 E181 D204 L206 Binding residue (residue number reindexed from 1) M64 T90 C91 G92 F159 E179 M180 E181 D204 L206 Annotation score 1 Binding affinity MOAD: Kd=10.7uM

Enzymatic activity Catalytic site (original residue number in PDB) H4 G20 R24 R43 E75 R87 T90 S203 D204 L206 Catalytic site (residue number reindexed from 1) H4 G20 R24 R43 E75 R87 T90 S203 D204 L206 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

	Biological Process
GO:0006139	nucleobase-containing compound metabolic process
GO:0006152	purine nucleoside catabolic process
GO:0009116	nucleoside metabolic process
GO:0009164	nucleoside catabolic process

	Cellular Component
GO:0005829	cytosol

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