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Structure of PDB 4nsn Chain A Binding Site BS01

Receptor Information >4nsn Chain A (length=273) Species: 431947 (Porphyromonas gingivalis ATCC 33277) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MKLQEQHYHEAASFLSSRLPGDAKTAIILGSGLGELAEKIENKTVIPYNE IPHFAQATAVGHKGNIIGGILGGTPVVAMQGRFHYYEGYSMDQVTFPIRV MKLLGIENLFVSNAAGGINTSFKVGDLMIICDHINNLPNPLIGPNMDMFG VRFPDMTRAYDREFIAKAKGIAQELNIPVKEGVYVGLTGPSYETPAEYKF WGQVGGDAIGMSTVPEVIVARHTGIRVFGMSVITNEGYHFADDFVNDEQD VIRAANAASEKMGAIFARLIAAV

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 4nsn Chain A 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 4nsn Crystal structure of purine nucleoside phosphorylase from Porphyromonas gingivalis ATCC 33277, NYSGRC Target 030972, orthorhombic symmetry. Resolution 1.6 Å Binding residue (original residue number in PDB) A129 A130 G131 Y207 E208 Y213 G225 M226 T249 N250 Binding residue (residue number reindexed from 1) A114 A115 G116 Y192 E193 Y198 G210 M211 T234 N235 Annotation score 5

Enzymatic activity Catalytic site (original residue number in PDB) S46 H77 H99 Y101 E102 A129 M226 S227 N250 E263 Catalytic site (residue number reindexed from 1) S31 H62 H84 Y86 E87 A114 M211 S212 N235 E248 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:0009116	nucleoside metabolic process

	Cellular Component
GO:0005737	cytoplasm

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