1Q1G
Crystal structure of Plasmodium falciparum PNP with 5'-methylthio-immucillin-H
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 | 0016740 | molecular_function | transferase activity |
| 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 | 0016740 | molecular_function | transferase activity |
| 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 | 0016740 | molecular_function | transferase activity |
| 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 | 0016740 | molecular_function | transferase activity |
| 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 | 0016740 | molecular_function | transferase activity |
| 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 | 0016740 | molecular_function | transferase activity |
| 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 | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 401 |
| Chain | Residue |
| A | GLY23 |
| A | ARG88 |
| A | GLY90 |
| A | SER91 |
| A | MTI301 |
| B | ARG45 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 B 402 |
| Chain | Residue |
| B | GLY90 |
| B | SER91 |
| B | MTI302 |
| B | HOH780 |
| A | ARG45 |
| B | GLY23 |
| B | ARG88 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 C 403 |
| Chain | Residue |
| C | GLY23 |
| C | ARG88 |
| C | GLY90 |
| C | SER91 |
| C | MTI303 |
| C | HOH888 |
| D | ARG45 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 D 404 |
| Chain | Residue |
| C | ARG45 |
| D | GLY23 |
| D | ARG88 |
| D | GLY90 |
| D | SER91 |
| D | MTI304 |
| D | HOH768 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 E 405 |
| Chain | Residue |
| E | GLY23 |
| E | ARG88 |
| E | GLY90 |
| E | SER91 |
| E | MTI305 |
| E | HOH710 |
| F | ARG45 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 F 406 |
| Chain | Residue |
| E | ARG45 |
| F | GLY23 |
| F | ARG88 |
| F | GLY90 |
| F | SER91 |
| F | MTI306 |
| F | HOH893 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 B 407 |
| Chain | Residue |
| B | HIS123 |
| B | GLY124 |
| B | ASP125 |
| B | IPA502 |
| B | HOH681 |
| B | HOH736 |
| C | ARG169 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 D 408 |
| Chain | Residue |
| D | HIS123 |
| D | GLY124 |
| D | ASP125 |
| D | IPA507 |
| D | HOH841 |
| D | HOH935 |
| E | ARG169 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 F 409 |
| Chain | Residue |
| A | ARG169 |
| F | HIS123 |
| F | GLY124 |
| F | ASP125 |
| F | IPA505 |
| F | HOH836 |
| site_id | BC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 410 |
| Chain | Residue |
| B | LYS101 |
| B | ARG102 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 F 411 |
| Chain | Residue |
| F | LYS101 |
| F | ARG102 |
| F | HOH811 |
| F | HOH868 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 412 |
| Chain | Residue |
| A | HIS224 |
| D | LYS101 |
| D | ARG102 |
| D | LYS211 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 413 |
| Chain | Residue |
| A | LYS101 |
| A | ARG102 |
| A | ASP216 |
| A | HOH851 |
| D | GLU227 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 414 |
| Chain | Residue |
| A | HIS123 |
| A | GLY124 |
| A | ASP125 |
| A | IPA503 |
| A | HOH834 |
| F | ARG169 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 E 415 |
| Chain | Residue |
| D | ARG169 |
| E | HIS123 |
| E | GLY124 |
| E | ASP125 |
| E | IPA506 |
| E | HOH833 |
| site_id | BC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 C 416 |
| Chain | Residue |
| B | ARG169 |
| B | IPA508 |
| C | HIS123 |
| C | GLY124 |
| C | ASP125 |
| C | HOH839 |
| C | HOH848 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 417 |
| Chain | Residue |
| B | HIS7 |
| B | LYS9 |
| B | ASN44 |
| B | ARG45 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 418 |
| Chain | Residue |
| A | HIS7 |
| A | LYS9 |
| A | ASN44 |
| A | ARG45 |
| B | ASN219 |
| site_id | CC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 F 419 |
| Chain | Residue |
| F | HIS7 |
| F | LYS9 |
| F | ASN44 |
| F | ARG45 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 E 420 |
| Chain | Residue |
| E | HIS7 |
| E | LYS9 |
| E | ASN44 |
| E | ARG45 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 D 421 |
| Chain | Residue |
| C | HOH809 |
| D | HIS7 |
| D | LYS9 |
| D | ASN44 |
| D | ARG45 |
| site_id | CC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C 422 |
| Chain | Residue |
| C | HIS7 |
| C | LYS9 |
| C | ASN44 |
| C | ARG45 |
| D | ASN219 |
| site_id | CC5 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE MTI A 301 |
| Chain | Residue |
| A | VAL66 |
| A | ARG88 |
| A | SER91 |
| A | CYS92 |
| A | GLY93 |
| A | TYR160 |
| A | GLU182 |
| A | MET183 |
| A | GLU184 |
| A | ASP206 |
| A | TRP212 |
| A | SO4401 |
| A | HOH690 |
| A | HOH835 |
| A | HOH934 |
| B | HIS7 |
| B | VAL73 |
| site_id | CC6 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE MTI B 302 |
| Chain | Residue |
| A | HIS7 |
| A | VAL73 |
| B | VAL66 |
| B | ARG88 |
| B | SER91 |
| B | CYS92 |
| B | GLY93 |
| B | TYR160 |
| B | GLU182 |
| B | MET183 |
| B | GLU184 |
| B | ASP206 |
| B | TRP212 |
| B | SO4402 |
| B | HOH677 |
| B | HOH852 |
| B | HOH854 |
| site_id | CC7 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE MTI C 303 |
| Chain | Residue |
| C | ARG88 |
| C | SER91 |
| C | CYS92 |
| C | GLY93 |
| C | TYR160 |
| C | GLU182 |
| C | MET183 |
| C | GLU184 |
| C | ASP206 |
| C | TRP212 |
| C | SO4403 |
| C | HOH650 |
| C | HOH898 |
| C | HOH910 |
| D | HIS7 |
| D | VAL73 |
| site_id | CC8 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE MTI D 304 |
| Chain | Residue |
| C | HIS7 |
| C | VAL73 |
| D | ARG88 |
| D | SER91 |
| D | CYS92 |
| D | GLY93 |
| D | TYR160 |
| D | GLU182 |
| D | MET183 |
| D | GLU184 |
| D | ASP206 |
| D | TRP212 |
| D | SO4404 |
| D | HOH617 |
| D | HOH829 |
| D | HOH855 |
| site_id | CC9 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE MTI E 305 |
| Chain | Residue |
| E | VAL66 |
| E | ARG88 |
| E | SER91 |
| E | CYS92 |
| E | GLY93 |
| E | TYR160 |
| E | GLU182 |
| E | MET183 |
| E | GLU184 |
| E | ASP206 |
| E | TRP212 |
| E | SO4405 |
| E | HOH646 |
| E | HOH923 |
| E | HOH927 |
| F | HIS7 |
| F | VAL73 |
| site_id | DC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE MTI F 306 |
| Chain | Residue |
| E | VAL73 |
| F | ARG88 |
| F | SER91 |
| F | CYS92 |
| F | GLY93 |
| F | TYR160 |
| F | GLU182 |
| F | MET183 |
| F | GLU184 |
| F | ASP206 |
| F | PRO209 |
| F | TRP212 |
| F | SO4406 |
| F | HOH742 |
| F | HOH798 |
| F | HOH832 |
| site_id | DC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IPA B 501 |
| Chain | Residue |
| A | ARG169 |
| B | ARG116 |
| B | LEU120 |
| B | HOH865 |
| site_id | DC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IPA B 502 |
| Chain | Residue |
| B | HIS119 |
| B | HIS123 |
| B | SO4407 |
| C | ARG169 |
| site_id | DC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IPA A 503 |
| Chain | Residue |
| A | HIS119 |
| A | HIS123 |
| A | SO4414 |
| F | ARG169 |
| site_id | DC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IPA F 504 |
| Chain | Residue |
| E | ARG169 |
| F | ARG116 |
| F | LEU120 |
| F | HOH846 |
| site_id | DC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IPA F 505 |
| Chain | Residue |
| A | ARG169 |
| F | HIS119 |
| F | HIS123 |
| F | SO4409 |
| site_id | DC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IPA E 506 |
| Chain | Residue |
| D | ARG169 |
| E | HIS119 |
| E | HIS123 |
| E | SO4415 |
| site_id | DC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IPA D 507 |
| Chain | Residue |
| D | HIS119 |
| D | HIS123 |
| D | SO4408 |
| E | ARG169 |
| site_id | DC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IPA B 508 |
| Chain | Residue |
| B | ARG169 |
| C | HIS119 |
| C | HIS123 |
| C | SO4416 |
| site_id | EC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IPA D 509 |
| Chain | Residue |
| C | ARG169 |
| D | ARG116 |
| D | LEU120 |
| D | HOH908 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| 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_FI2 |
| 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_FI3 |
| 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_FI4 |
| 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_FI5 |
| 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_FI6 |
| 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 |
