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 | 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 | 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 |