3PHC
Crystal Structure of Plasmodium falciparum purine nucleoside phosphorylase in complex with DADMe-ImmG
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| A | 0004850 | molecular_function | uridine phosphorylase activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0006148 | biological_process | inosine catabolic process |
| A | 0006166 | biological_process | purine ribonucleoside salvage |
| A | 0006195 | biological_process | purine nucleotide catabolic process |
| A | 0006218 | biological_process | uridine catabolic process |
| A | 0009116 | biological_process | nucleoside metabolic process |
| A | 0016757 | molecular_function | glycosyltransferase activity |
| A | 0017061 | molecular_function | S-methyl-5-thioadenosine phosphorylase activity |
| A | 0047975 | molecular_function | guanosine phosphorylase activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| B | 0004850 | molecular_function | uridine phosphorylase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0006148 | biological_process | inosine catabolic process |
| B | 0006166 | biological_process | purine ribonucleoside salvage |
| B | 0006195 | biological_process | purine nucleotide catabolic process |
| B | 0006218 | biological_process | uridine catabolic process |
| B | 0009116 | biological_process | nucleoside metabolic process |
| B | 0016757 | molecular_function | glycosyltransferase activity |
| B | 0017061 | molecular_function | S-methyl-5-thioadenosine phosphorylase activity |
| B | 0047975 | molecular_function | guanosine phosphorylase activity |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| C | 0004850 | molecular_function | uridine phosphorylase activity |
| C | 0005829 | cellular_component | cytosol |
| C | 0006148 | biological_process | inosine catabolic process |
| C | 0006166 | biological_process | purine ribonucleoside salvage |
| C | 0006195 | biological_process | purine nucleotide catabolic process |
| C | 0006218 | biological_process | uridine catabolic process |
| C | 0009116 | biological_process | nucleoside metabolic process |
| C | 0016757 | molecular_function | glycosyltransferase activity |
| C | 0017061 | molecular_function | S-methyl-5-thioadenosine phosphorylase activity |
| C | 0047975 | molecular_function | guanosine phosphorylase activity |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| D | 0004850 | molecular_function | uridine phosphorylase activity |
| D | 0005829 | cellular_component | cytosol |
| D | 0006148 | biological_process | inosine catabolic process |
| D | 0006166 | biological_process | purine ribonucleoside salvage |
| D | 0006195 | biological_process | purine nucleotide catabolic process |
| D | 0006218 | biological_process | uridine catabolic process |
| D | 0009116 | biological_process | nucleoside metabolic process |
| D | 0016757 | molecular_function | glycosyltransferase activity |
| D | 0017061 | molecular_function | S-methyl-5-thioadenosine phosphorylase activity |
| D | 0047975 | molecular_function | guanosine phosphorylase activity |
| E | 0003824 | molecular_function | catalytic activity |
| E | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| E | 0004850 | molecular_function | uridine phosphorylase activity |
| E | 0005829 | cellular_component | cytosol |
| E | 0006148 | biological_process | inosine catabolic process |
| E | 0006166 | biological_process | purine ribonucleoside salvage |
| E | 0006195 | biological_process | purine nucleotide catabolic process |
| E | 0006218 | biological_process | uridine catabolic process |
| E | 0009116 | biological_process | nucleoside metabolic process |
| E | 0016757 | molecular_function | glycosyltransferase activity |
| E | 0017061 | molecular_function | S-methyl-5-thioadenosine phosphorylase activity |
| E | 0047975 | molecular_function | guanosine phosphorylase activity |
| F | 0003824 | molecular_function | catalytic activity |
| F | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| F | 0004850 | molecular_function | uridine phosphorylase activity |
| F | 0005829 | cellular_component | cytosol |
| F | 0006148 | biological_process | inosine catabolic process |
| F | 0006166 | biological_process | purine ribonucleoside salvage |
| F | 0006195 | biological_process | purine nucleotide catabolic process |
| F | 0006218 | biological_process | uridine catabolic process |
| F | 0009116 | biological_process | nucleoside metabolic process |
| F | 0016757 | molecular_function | glycosyltransferase activity |
| F | 0017061 | molecular_function | S-methyl-5-thioadenosine phosphorylase activity |
| F | 0047975 | molecular_function | guanosine phosphorylase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE K A 275 |
| Chain | Residue |
| A | GLU46 |
| A | VAL66 |
| B | GLU46 |
| B | VAL66 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 A 502 |
| Chain | Residue |
| A | IM5501 |
| B | ARG45 |
| A | GLY23 |
| A | ARG27 |
| A | ARG88 |
| A | GLY90 |
| A | SER91 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE IM5 A 501 |
| Chain | Residue |
| A | SER91 |
| A | CYS92 |
| A | GLY93 |
| A | TYR160 |
| A | VAL181 |
| A | GLU182 |
| A | MET183 |
| A | GLU184 |
| A | ASP206 |
| A | TRP212 |
| A | HOH281 |
| A | HOH294 |
| A | PO4502 |
| B | HIS7 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 B 502 |
| Chain | Residue |
| A | ARG45 |
| B | GLY23 |
| B | ARG27 |
| B | ARG88 |
| B | GLY90 |
| B | SER91 |
| B | IM5501 |
| site_id | AC5 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE IM5 B 501 |
| Chain | Residue |
| A | HIS7 |
| B | SER91 |
| B | CYS92 |
| B | GLY93 |
| B | TYR160 |
| B | VAL181 |
| B | GLU182 |
| B | MET183 |
| B | GLU184 |
| B | ASP206 |
| B | TRP212 |
| B | HOH315 |
| B | PO4502 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K C 275 |
| Chain | Residue |
| C | GLU46 |
| C | VAL66 |
| D | GLU46 |
| D | VAL66 |
| D | HOH291 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 C 502 |
| Chain | Residue |
| C | GLY23 |
| C | ARG27 |
| C | ARG88 |
| C | GLY90 |
| C | SER91 |
| C | IM5501 |
| D | ARG45 |
| site_id | AC8 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE IM5 C 501 |
| Chain | Residue |
| C | SER91 |
| C | CYS92 |
| C | GLY93 |
| C | TYR160 |
| C | VAL181 |
| C | GLU182 |
| C | MET183 |
| C | GLU184 |
| C | ASP206 |
| C | TRP212 |
| C | HOH297 |
| C | HOH314 |
| C | HOH320 |
| C | PO4502 |
| D | HIS7 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 D 502 |
| Chain | Residue |
| C | ARG45 |
| D | GLY23 |
| D | ARG27 |
| D | ARG88 |
| D | GLY90 |
| D | SER91 |
| D | IM5501 |
| site_id | BC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE IM5 D 501 |
| Chain | Residue |
| C | HIS7 |
| D | VAL66 |
| D | SER91 |
| D | CYS92 |
| D | GLY93 |
| D | TYR160 |
| D | VAL181 |
| D | GLU182 |
| D | MET183 |
| D | GLU184 |
| D | ASP206 |
| D | TRP212 |
| D | HOH282 |
| D | HOH284 |
| D | HOH300 |
| D | PO4502 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K E 275 |
| Chain | Residue |
| F | VAL66 |
| F | HOH292 |
| E | GLU46 |
| E | VAL66 |
| E | HOH293 |
| F | GLU46 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 E 502 |
| Chain | Residue |
| E | GLY23 |
| E | ARG27 |
| E | ARG88 |
| E | GLY90 |
| E | SER91 |
| E | IM5501 |
| F | ARG45 |
| site_id | BC4 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE IM5 E 501 |
| Chain | Residue |
| E | VAL66 |
| E | SER91 |
| E | CYS92 |
| E | GLY93 |
| E | TYR160 |
| E | VAL181 |
| E | GLU182 |
| E | MET183 |
| E | GLU184 |
| E | ASP206 |
| E | TRP212 |
| E | HOH288 |
| E | HOH309 |
| E | HOH339 |
| E | PO4502 |
| F | HIS7 |
| F | HOH304 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 F 502 |
| Chain | Residue |
| E | ARG45 |
| F | GLY23 |
| F | ARG27 |
| F | ARG88 |
| F | GLY90 |
| F | SER91 |
| F | IM5501 |
| site_id | BC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE IM5 F 501 |
| Chain | Residue |
| E | HIS7 |
| F | SER91 |
| F | CYS92 |
| F | GLY93 |
| F | TYR160 |
| F | VAL181 |
| F | GLU182 |
| F | MET183 |
| F | GLU184 |
| F | ASP206 |
| F | TRP212 |
| F | HOH287 |
| F | HOH307 |
| F | PO4502 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | ACT_SITE: Proton donor => ECO:0000250|UniProtKB:Q8I3X4 |
| Chain | Residue | Details |
| A | VAL205 | |
| B | VAL205 | |
| C | VAL205 | |
| D | VAL205 | |
| E | VAL205 | |
| F | VAL205 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:Q8I3X4 |
| Chain | Residue | Details |
| A | ARG6 | |
| E | ASN44 | |
| F | ARG6 | |
| F | ASN44 | |
| A | ASN44 | |
| B | ARG6 | |
| B | ASN44 | |
| C | ARG6 | |
| C | ASN44 | |
| D | ARG6 | |
| D | ASN44 | |
| E | ARG6 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | BINDING: in other chain => ECO:0000269|PubMed:30602534, ECO:0007744|PDB:5ZNI |
| Chain | Residue | Details |
| A | VAL22 | |
| B | VAL22 | |
| C | VAL22 | |
| D | VAL22 | |
| E | VAL22 | |
| F | VAL22 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | BINDING: in other chain => ECO:0000269|PubMed:30602534, ECO:0007744|PDB:5ZNC, ECO:0007744|PDB:5ZNI |
| Chain | Residue | Details |
| A | ILE87 | |
| B | ILE87 | |
| C | ILE87 | |
| D | ILE87 | |
| E | ILE87 | |
| F | ILE87 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 6 |
| Details | BINDING: in other chain => ECO:0000250|UniProtKB:Q8I3X4 |
| Chain | Residue | Details |
| A | GLU182 | |
| B | GLU182 | |
| C | GLU182 | |
| D | GLU182 | |
| E | GLU182 | |
| F | GLU182 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 6 |
| Details | ACT_SITE: Proton donor => ECO:0000305|PubMed:24416224 |
| Chain | Residue | Details |
| A | ASP206 | |
| B | ASP206 | |
| C | ASP206 | |
| D | ASP206 | |
| E | ASP206 | |
| F | ASP206 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:24416224, ECO:0000305|Ref.7, ECO:0007744|PDB:3FOW, ECO:0007744|PDB:3PHC |
| Chain | Residue | Details |
| A | HIS7 | |
| B | HIS7 | |
| C | HIS7 | |
| D | HIS7 | |
| E | HIS7 | |
| F | HIS7 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 6 |
| Details | BINDING: in other chain => ECO:0000269|PubMed:24416224, ECO:0000269|Ref.7, ECO:0000305|PubMed:14982926, ECO:0000305|PubMed:19575810, ECO:0007744|PDB:1NW4, ECO:0007744|PDB:1Q1G, ECO:0007744|PDB:3ENZ, ECO:0007744|PDB:3FOW, ECO:0007744|PDB:3PHC |
| Chain | Residue | Details |
| A | GLY23 | |
| B | GLY23 | |
| C | GLY23 | |
| D | GLY23 | |
| E | GLY23 | |
| F | GLY23 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:24416224, ECO:0000269|Ref.7, ECO:0000305|PubMed:14982926, ECO:0000305|PubMed:19575810, ECO:0007744|PDB:1NW4, ECO:0007744|PDB:1Q1G, ECO:0007744|PDB:3ENZ, ECO:0007744|PDB:3FOW, ECO:0007744|PDB:3PHC |
| Chain | Residue | Details |
| A | ARG45 | |
| B | ARG45 | |
| C | ARG45 | |
| D | ARG45 | |
| E | ARG45 | |
| F | ARG45 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 6 |
| Details | BINDING: in other chain => ECO:0000269|PubMed:24416224, ECO:0000269|PubMed:29440412, ECO:0000269|Ref.7, ECO:0000305|PubMed:14982926, ECO:0000305|PubMed:19575810, ECO:0007744|PDB:1NW4, ECO:0007744|PDB:1Q1G, ECO:0007744|PDB:3ENZ, ECO:0007744|PDB:3FOW, ECO:0007744|PDB:3PHC, ECO:0007744|PDB:6AQS, ECO:0007744|PDB:6AQU |
| Chain | Residue | Details |
| A | ARG88 | |
| B | ARG88 | |
| C | ARG88 | |
| D | ARG88 | |
| E | ARG88 | |
| F | ARG88 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 6 |
| Details | BINDING: in other chain => ECO:0000269|PubMed:16131758, ECO:0000305|PubMed:24416224, ECO:0000305|Ref.7, ECO:0007744|PDB:2BSX, ECO:0007744|PDB:3FOW, ECO:0007744|PDB:3PHC |
| Chain | Residue | Details |
| A | MET183 | |
| B | MET183 | |
| C | MET183 | |
| D | MET183 | |
| E | MET183 | |
| F | MET183 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 695 |
| Chain | Residue | Details |
| A | ARG27 | electrostatic stabiliser |
| A | ARG45 | electrostatic stabiliser |
| A | ARG88 | electrostatic stabiliser |
| A | ASP206 | proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 695 |
| Chain | Residue | Details |
| B | ARG27 | electrostatic stabiliser |
| B | ARG45 | electrostatic stabiliser |
| B | ARG88 | electrostatic stabiliser |
| B | ASP206 | proton acceptor, proton donor |
| site_id | MCSA3 |
| Number of Residues | 4 |
| Details | M-CSA 695 |
| Chain | Residue | Details |
| C | ARG27 | electrostatic stabiliser |
| C | ARG45 | electrostatic stabiliser |
| C | ARG88 | electrostatic stabiliser |
| C | ASP206 | proton acceptor, proton donor |
| site_id | MCSA4 |
| Number of Residues | 4 |
| Details | M-CSA 695 |
| Chain | Residue | Details |
| D | ARG27 | electrostatic stabiliser |
| D | ARG45 | electrostatic stabiliser |
| D | ARG88 | electrostatic stabiliser |
| D | ASP206 | proton acceptor, proton donor |
| site_id | MCSA5 |
| Number of Residues | 4 |
| Details | M-CSA 695 |
| Chain | Residue | Details |
| E | ARG27 | electrostatic stabiliser |
| E | ARG45 | electrostatic stabiliser |
| E | ARG88 | electrostatic stabiliser |
| E | ASP206 | proton acceptor, proton donor |
| site_id | MCSA6 |
| Number of Residues | 4 |
| Details | M-CSA 695 |
| Chain | Residue | Details |
| F | ARG27 | electrostatic stabiliser |
| F | ARG45 | electrostatic stabiliser |
| F | ARG88 | electrostatic stabiliser |
| F | ASP206 | proton acceptor, proton donor |
