3GGS
Human purine nucleoside phosphorylase double mutant E201Q,N243D complexed with 2-fluoro-2'-deoxyadenosine
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000255 | biological_process | allantoin metabolic process |
| A | 0001882 | molecular_function | nucleoside binding |
| A | 0002060 | molecular_function | purine nucleobase binding |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| A | 0006148 | biological_process | inosine catabolic process |
| A | 0006149 | biological_process | deoxyinosine catabolic process |
| A | 0006157 | biological_process | deoxyadenosine catabolic process |
| A | 0006166 | biological_process | purine ribonucleoside salvage |
| A | 0006204 | biological_process | IMP catabolic process |
| A | 0006738 | biological_process | nicotinamide riboside catabolic process |
| A | 0006955 | biological_process | immune response |
| A | 0009116 | biological_process | nucleoside metabolic process |
| A | 0009165 | biological_process | nucleotide biosynthetic process |
| A | 0009410 | biological_process | response to xenobiotic stimulus |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016757 | molecular_function | glycosyltransferase activity |
| A | 0016763 | molecular_function | pentosyltransferase activity |
| A | 0032743 | biological_process | positive regulation of interleukin-2 production |
| A | 0034418 | biological_process | urate biosynthetic process |
| A | 0034774 | cellular_component | secretory granule lumen |
| A | 0042102 | biological_process | positive regulation of T cell proliferation |
| A | 0042301 | molecular_function | phosphate ion binding |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0043101 | biological_process | purine-containing compound salvage |
| A | 0046059 | biological_process | dAMP catabolic process |
| A | 0046638 | biological_process | positive regulation of alpha-beta T cell differentiation |
| A | 0047975 | molecular_function | guanosine phosphorylase activity |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 1904813 | cellular_component | ficolin-1-rich granule lumen |
| B | 0000255 | biological_process | allantoin metabolic process |
| B | 0001882 | molecular_function | nucleoside binding |
| B | 0002060 | molecular_function | purine nucleobase binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005576 | cellular_component | extracellular region |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| B | 0006148 | biological_process | inosine catabolic process |
| B | 0006149 | biological_process | deoxyinosine catabolic process |
| B | 0006157 | biological_process | deoxyadenosine catabolic process |
| B | 0006166 | biological_process | purine ribonucleoside salvage |
| B | 0006204 | biological_process | IMP catabolic process |
| B | 0006738 | biological_process | nicotinamide riboside catabolic process |
| B | 0006955 | biological_process | immune response |
| B | 0009116 | biological_process | nucleoside metabolic process |
| B | 0009165 | biological_process | nucleotide biosynthetic process |
| B | 0009410 | biological_process | response to xenobiotic stimulus |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016757 | molecular_function | glycosyltransferase activity |
| B | 0016763 | molecular_function | pentosyltransferase activity |
| B | 0032743 | biological_process | positive regulation of interleukin-2 production |
| B | 0034418 | biological_process | urate biosynthetic process |
| B | 0034774 | cellular_component | secretory granule lumen |
| B | 0042102 | biological_process | positive regulation of T cell proliferation |
| B | 0042301 | molecular_function | phosphate ion binding |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0043101 | biological_process | purine-containing compound salvage |
| B | 0046059 | biological_process | dAMP catabolic process |
| B | 0046638 | biological_process | positive regulation of alpha-beta T cell differentiation |
| B | 0047975 | molecular_function | guanosine phosphorylase activity |
| B | 0070062 | cellular_component | extracellular exosome |
| B | 1904813 | cellular_component | ficolin-1-rich granule lumen |
| C | 0000255 | biological_process | allantoin metabolic process |
| C | 0001882 | molecular_function | nucleoside binding |
| C | 0002060 | molecular_function | purine nucleobase binding |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005576 | cellular_component | extracellular region |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| C | 0006148 | biological_process | inosine catabolic process |
| C | 0006149 | biological_process | deoxyinosine catabolic process |
| C | 0006157 | biological_process | deoxyadenosine catabolic process |
| C | 0006166 | biological_process | purine ribonucleoside salvage |
| C | 0006204 | biological_process | IMP catabolic process |
| C | 0006738 | biological_process | nicotinamide riboside catabolic process |
| C | 0006955 | biological_process | immune response |
| C | 0009116 | biological_process | nucleoside metabolic process |
| C | 0009165 | biological_process | nucleotide biosynthetic process |
| C | 0009410 | biological_process | response to xenobiotic stimulus |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016757 | molecular_function | glycosyltransferase activity |
| C | 0016763 | molecular_function | pentosyltransferase activity |
| C | 0032743 | biological_process | positive regulation of interleukin-2 production |
| C | 0034418 | biological_process | urate biosynthetic process |
| C | 0034774 | cellular_component | secretory granule lumen |
| C | 0042102 | biological_process | positive regulation of T cell proliferation |
| C | 0042301 | molecular_function | phosphate ion binding |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0043101 | biological_process | purine-containing compound salvage |
| C | 0046059 | biological_process | dAMP catabolic process |
| C | 0046638 | biological_process | positive regulation of alpha-beta T cell differentiation |
| C | 0047975 | molecular_function | guanosine phosphorylase activity |
| C | 0070062 | cellular_component | extracellular exosome |
| C | 1904813 | cellular_component | ficolin-1-rich granule lumen |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE 2FD A 300 |
| Chain | Residue |
| A | SER33 |
| A | MET219 |
| A | THR242 |
| A | ASP243 |
| A | VAL245 |
| A | SO4290 |
| A | HOH324 |
| A | HOH347 |
| A | TYR88 |
| A | ALA116 |
| A | GLY118 |
| A | VAL195 |
| A | PHE200 |
| A | GLN201 |
| A | VAL217 |
| A | GLY218 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 2FD B 300 |
| Chain | Residue |
| A | PHE159 |
| B | ALA116 |
| B | GLY118 |
| B | VAL195 |
| B | PHE200 |
| B | GLN201 |
| B | VAL217 |
| B | MET219 |
| B | THR242 |
| B | ASP243 |
| B | VAL245 |
| B | SO4290 |
| B | HOH345 |
| B | HOH363 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 2FD C 300 |
| Chain | Residue |
| C | SER33 |
| C | TYR88 |
| C | ALA116 |
| C | GLY118 |
| C | GLN201 |
| C | VAL217 |
| C | MET219 |
| C | THR242 |
| C | ASP243 |
| C | VAL245 |
| C | SO4290 |
| C | HOH323 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 C 290 |
| Chain | Residue |
| C | GLY32 |
| C | SER33 |
| C | ARG84 |
| C | HIS86 |
| C | ASN115 |
| C | ALA116 |
| C | SER220 |
| C | 2FD300 |
| C | HOH346 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 B 290 |
| Chain | Residue |
| B | GLY32 |
| B | SER33 |
| B | ARG84 |
| B | HIS86 |
| B | ASN115 |
| B | ALA116 |
| B | SER220 |
| B | 2FD300 |
| B | HOH316 |
| B | HOH345 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 A 290 |
| Chain | Residue |
| A | GLY32 |
| A | SER33 |
| A | ARG84 |
| A | HIS86 |
| A | ASN115 |
| A | ALA116 |
| A | SER220 |
| A | 2FD300 |
| A | HOH347 |
| A | HOH349 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 291 |
| Chain | Residue |
| A | PRO92 |
| A | GLN144 |
| A | HOH358 |
| C | ARG148 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 B 291 |
| Chain | Residue |
| B | ARG229 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 292 |
| Chain | Residue |
| A | ARG148 |
| B | MET1 |
| B | PRO92 |
| B | GLN144 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C 291 |
| Chain | Residue |
| B | ARG148 |
| C | PRO92 |
| C | GLN144 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 292 |
| Chain | Residue |
| C | GLY34 |
| C | LEU35 |
| C | GLY36 |
| C | GLN82 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 292 |
| Chain | Residue |
| B | SER33 |
| B | GLY34 |
| B | LEU35 |
| B | GLY36 |
| B | GLN82 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 293 |
| Chain | Residue |
| A | GLY34 |
| A | LEU35 |
| A | GLY36 |
| site_id | BC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 C 293 |
| Chain | Residue |
| C | ARG173 |
| C | PRO283 |
| site_id | BC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 C 294 |
| Chain | Residue |
| C | ARG229 |
| site_id | BC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 294 |
| Chain | Residue |
| A | ARG58 |
| A | LYS95 |
| A | PRO57 |
| site_id | BC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 A 295 |
| Chain | Residue |
| A | ARG229 |
| site_id | BC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 293 |
| Chain | Residue |
| B | THR6 |
| B | TYR7 |
| B | GLU8 |
| B | ARG154 |
| site_id | CC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 294 |
| Chain | Residue |
| B | ARG133 |
| B | ARG168 |
| B | ARG171 |
| C | TYR249 |
| site_id | CC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 295 |
| Chain | Residue |
| A | HIS64 |
| B | ARG24 |
| site_id | CC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 296 |
| Chain | Residue |
| A | ARG133 |
| A | ARG168 |
| A | ARG171 |
| B | GLU253 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 296 |
| Chain | Residue |
| B | ASP40 |
| B | ARG67 |
| C | TYR7 |
| C | LYS11 |
| site_id | CC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 297 |
| Chain | Residue |
| A | ASN121 |
| A | LYS123 |
| site_id | CC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 298 |
| Chain | Residue |
| A | GLY264 |
| A | LYS265 |
| A | GLN266 |
| A | ALA267 |
| site_id | CC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 C 295 |
| Chain | Residue |
| C | ASN121 |
| site_id | CC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 297 |
| Chain | Residue |
| B | ARG173 |
| B | PRO283 |
| site_id | CC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 299 |
| Chain | Residue |
| A | THR6 |
| A | TYR7 |
| A | GLU8 |
| A | ARG154 |
| site_id | DC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 298 |
| Chain | Residue |
| B | GLY264 |
| B | LYS265 |
| B | GLN266 |
| B | ALA267 |
| site_id | DC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 B 299 |
| Chain | Residue |
| B | ASN121 |
| site_id | DC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 296 |
| Chain | Residue |
| C | PHE56 |
| C | PRO57 |
| C | ARG58 |
| C | LYS95 |
| site_id | DC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 297 |
| Chain | Residue |
| A | GLU253 |
| C | ARG133 |
| C | ARG168 |
| C | ARG171 |
| site_id | DC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C 298 |
| Chain | Residue |
| B | ARG133 |
| C | ARG207 |
| C | TYR249 |
| site_id | DC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 C 299 |
| Chain | Residue |
| C | SER176 |
| C | LYS179 |
| site_id | DC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE 2FD C 301 |
| Chain | Residue |
| A | ARG173 |
| A | SER281 |
| A | PRO283 |
| C | PHE72 |
| C | GLY75 |
Functional Information from PROSITE/UniProt
| site_id | PS01240 |
| Number of Residues | 42 |
| Details | PNP_MTAP_2 Purine and other phosphorylases family 2 signature. VmmqGrfHmYegypLwkvTfpVrVfhllGvdt.LVvtNAaGGL |
| Chain | Residue | Details |
| A | VAL79-LEU120 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:23438750, ECO:0000305|PubMed:14706628, ECO:0000305|PubMed:1763067, ECO:0007744|PDB:1RCT, ECO:0007744|PDB:1ULA, ECO:0007744|PDB:1ULB, ECO:0007744|PDB:4EAR, ECO:0007744|PDB:4EB8, ECO:0007744|PDB:4GKA |
| Chain | Residue | Details |
| A | SER33 | |
| B | SER33 | |
| C | SER33 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P55859 |
| Chain | Residue | Details |
| A | HIS64 | |
| B | HIS64 | |
| C | HIS64 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:23438750, ECO:0000305|PubMed:14706628, ECO:0000305|PubMed:1763067, ECO:0007744|PDB:1RCT, ECO:0007744|PDB:1ULA, ECO:0007744|PDB:1ULB, ECO:0007744|PDB:1V3Q, ECO:0007744|PDB:4EAR, ECO:0007744|PDB:4EB8, ECO:0007744|PDB:4GKA |
| Chain | Residue | Details |
| A | ARG84 | |
| B | ARG84 | |
| C | ARG84 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:14706628, ECO:0000269|PubMed:23438750, ECO:0007744|PDB:1RCT, ECO:0007744|PDB:4EAR, ECO:0007744|PDB:4EB8 |
| Chain | Residue | Details |
| A | TYR88 | |
| B | TYR88 | |
| C | TYR88 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:14706628, ECO:0000269|PubMed:23438750, ECO:0000305|PubMed:1763067, ECO:0007744|PDB:1RCT, ECO:0007744|PDB:1ULB, ECO:0007744|PDB:4EAR, ECO:0007744|PDB:4EB8, ECO:0007744|PDB:4GKA |
| Chain | Residue | Details |
| A | ALA116 | |
| C | GLN201 | |
| C | SER220 | |
| C | ASP243 | |
| A | GLN201 | |
| A | SER220 | |
| A | ASP243 | |
| B | ALA116 | |
| B | GLN201 | |
| B | SER220 | |
| B | ASP243 | |
| C | ALA116 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:14706628, ECO:0007744|PDB:1RCT |
| Chain | Residue | Details |
| A | MET219 | |
| A | HIS257 | |
| B | MET219 | |
| B | HIS257 | |
| C | MET219 | |
| C | HIS257 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 3 |
| Details | SITE: Important for substrate specificity => ECO:0000269|PubMed:9305964 |
| Chain | Residue | Details |
| A | ASP243 | |
| B | ASP243 | |
| C | ASP243 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 3 |
| Details | MOD_RES: N-acetylmethionine => ECO:0000269|Ref.8, ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895 |
| Chain | Residue | Details |
| A | MET1 | |
| B | MET1 | |
| C | MET1 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 3 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER251 | |
| B | SER251 | |
| C | SER251 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 10 |
| Details | M-CSA 17 |
| Chain | Residue | Details |
| A | SER33 | hydrogen bond donor |
| A | HIS257 | electrostatic stabiliser, hydrogen bond acceptor |
| A | HIS64 | electrostatic stabiliser |
| A | HIS86 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | TYR88 | electrostatic stabiliser, hydrogen bond donor |
| A | GLU89 | activator, electrostatic stabiliser, hydrogen bond acceptor |
| A | ALA116 | electrostatic stabiliser, hydrogen bond donor |
| A | MET219 | electrostatic stabiliser, hydrogen bond donor |
| A | SER220 | electrostatic stabiliser, hydrogen bond donor |
| A | ASP243 | electrostatic stabiliser, hydrogen bond donor, polar interaction |
| site_id | MCSA2 |
| Number of Residues | 10 |
| Details | M-CSA 17 |
| Chain | Residue | Details |
| B | SER33 | hydrogen bond donor |
| B | HIS257 | electrostatic stabiliser, hydrogen bond acceptor |
| B | HIS64 | electrostatic stabiliser |
| B | HIS86 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | TYR88 | electrostatic stabiliser, hydrogen bond donor |
| B | GLU89 | activator, electrostatic stabiliser, hydrogen bond acceptor |
| B | ALA116 | electrostatic stabiliser, hydrogen bond donor |
| B | MET219 | electrostatic stabiliser, hydrogen bond donor |
| B | SER220 | electrostatic stabiliser, hydrogen bond donor |
| B | ASP243 | electrostatic stabiliser, hydrogen bond donor, polar interaction |
| site_id | MCSA3 |
| Number of Residues | 10 |
| Details | M-CSA 17 |
| Chain | Residue | Details |
| C | SER33 | hydrogen bond donor |
| C | HIS257 | electrostatic stabiliser, hydrogen bond acceptor |
| C | HIS64 | electrostatic stabiliser |
| C | HIS86 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | TYR88 | electrostatic stabiliser, hydrogen bond donor |
| C | GLU89 | activator, electrostatic stabiliser, hydrogen bond acceptor |
| C | ALA116 | electrostatic stabiliser, hydrogen bond donor |
| C | MET219 | electrostatic stabiliser, hydrogen bond donor |
| C | SER220 | electrostatic stabiliser, hydrogen bond donor |
| C | ASP243 | electrostatic stabiliser, hydrogen bond donor, polar interaction |
