2C6Q
Crystal structure of human guanosine monophosphate reductase 2 GMPR2 in complex with IMP and NADPH
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0003920 | molecular_function | GMP reductase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005829 | cellular_component | cytosol |
| A | 0006144 | biological_process | purine nucleobase metabolic process |
| A | 0006163 | biological_process | purine nucleotide metabolic process |
| A | 0009117 | biological_process | nucleotide metabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0046037 | biological_process | GMP metabolic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 1902560 | cellular_component | GMP reductase complex |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0003920 | molecular_function | GMP reductase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005829 | cellular_component | cytosol |
| B | 0006144 | biological_process | purine nucleobase metabolic process |
| B | 0006163 | biological_process | purine nucleotide metabolic process |
| B | 0009117 | biological_process | nucleotide metabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0046037 | biological_process | GMP metabolic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 1902560 | cellular_component | GMP reductase complex |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0003920 | molecular_function | GMP reductase activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005829 | cellular_component | cytosol |
| C | 0006144 | biological_process | purine nucleobase metabolic process |
| C | 0006163 | biological_process | purine nucleotide metabolic process |
| C | 0009117 | biological_process | nucleotide metabolic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0046037 | biological_process | GMP metabolic process |
| C | 0046872 | molecular_function | metal ion binding |
| C | 1902560 | cellular_component | GMP reductase complex |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0003920 | molecular_function | GMP reductase activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0005829 | cellular_component | cytosol |
| D | 0006144 | biological_process | purine nucleobase metabolic process |
| D | 0006163 | biological_process | purine nucleotide metabolic process |
| D | 0009117 | biological_process | nucleotide metabolic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0046037 | biological_process | GMP metabolic process |
| D | 0046872 | molecular_function | metal ion binding |
| D | 1902560 | cellular_component | GMP reductase complex |
| E | 0003824 | molecular_function | catalytic activity |
| E | 0003920 | molecular_function | GMP reductase activity |
| E | 0005515 | molecular_function | protein binding |
| E | 0005829 | cellular_component | cytosol |
| E | 0006144 | biological_process | purine nucleobase metabolic process |
| E | 0006163 | biological_process | purine nucleotide metabolic process |
| E | 0009117 | biological_process | nucleotide metabolic process |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0046037 | biological_process | GMP metabolic process |
| E | 0046872 | molecular_function | metal ion binding |
| E | 1902560 | cellular_component | GMP reductase complex |
| F | 0003824 | molecular_function | catalytic activity |
| F | 0003920 | molecular_function | GMP reductase activity |
| F | 0005515 | molecular_function | protein binding |
| F | 0005829 | cellular_component | cytosol |
| F | 0006144 | biological_process | purine nucleobase metabolic process |
| F | 0006163 | biological_process | purine nucleotide metabolic process |
| F | 0009117 | biological_process | nucleotide metabolic process |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0046037 | biological_process | GMP metabolic process |
| F | 0046872 | molecular_function | metal ion binding |
| F | 1902560 | cellular_component | GMP reductase complex |
| G | 0003824 | molecular_function | catalytic activity |
| G | 0003920 | molecular_function | GMP reductase activity |
| G | 0005515 | molecular_function | protein binding |
| G | 0005829 | cellular_component | cytosol |
| G | 0006144 | biological_process | purine nucleobase metabolic process |
| G | 0006163 | biological_process | purine nucleotide metabolic process |
| G | 0009117 | biological_process | nucleotide metabolic process |
| G | 0016491 | molecular_function | oxidoreductase activity |
| G | 0046037 | biological_process | GMP metabolic process |
| G | 0046872 | molecular_function | metal ion binding |
| G | 1902560 | cellular_component | GMP reductase complex |
| H | 0003824 | molecular_function | catalytic activity |
| H | 0003920 | molecular_function | GMP reductase activity |
| H | 0005515 | molecular_function | protein binding |
| H | 0005829 | cellular_component | cytosol |
| H | 0006144 | biological_process | purine nucleobase metabolic process |
| H | 0006163 | biological_process | purine nucleotide metabolic process |
| H | 0009117 | biological_process | nucleotide metabolic process |
| H | 0016491 | molecular_function | oxidoreductase activity |
| H | 0046037 | biological_process | GMP metabolic process |
| H | 0046872 | molecular_function | metal ion binding |
| H | 1902560 | cellular_component | GMP reductase complex |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE IMP A 1337 |
| Chain | Residue |
| A | ALA53 |
| A | GLY242 |
| A | GLY243 |
| A | GLY268 |
| A | MET269 |
| A | SER270 |
| A | GLU289 |
| A | GLY290 |
| A | NDP1338 |
| A | HOH2050 |
| A | HOH2195 |
| A | MET55 |
| A | HOH2209 |
| A | HOH2293 |
| A | HOH2294 |
| A | HOH2295 |
| A | HOH2297 |
| A | GLY183 |
| A | SER184 |
| A | CYS186 |
| A | ASP219 |
| A | GLY220 |
| A | GLY221 |
| A | MET240 |
| site_id | AC2 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NDP A 1338 |
| Chain | Residue |
| A | LYS78 |
| A | GLY104 |
| A | THR105 |
| A | VAL130 |
| A | MET269 |
| A | SER270 |
| A | MET275 |
| A | TYR285 |
| A | ARG286 |
| A | IMP1337 |
| A | HOH2139 |
| A | HOH2254 |
| A | HOH2296 |
| A | HOH2297 |
| A | HOH2298 |
| A | HOH2299 |
| A | HOH2301 |
| A | HOH2302 |
| B | LYS25 |
| B | SER26 |
| B | ARG27 |
| B | SER314 |
| B | THR317 |
| B | TYR318 |
| site_id | AC3 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE IMP B 1339 |
| Chain | Residue |
| B | ALA53 |
| B | MET55 |
| B | GLY183 |
| B | SER184 |
| B | CYS186 |
| B | ASP219 |
| B | GLY220 |
| B | GLY221 |
| B | MET240 |
| B | GLY242 |
| B | GLY243 |
| B | GLY268 |
| B | MET269 |
| B | SER270 |
| B | GLU289 |
| B | GLY290 |
| B | NDP1340 |
| B | HOH2047 |
| B | HOH2179 |
| B | HOH2273 |
| B | HOH2274 |
| B | HOH2275 |
| B | HOH2276 |
| site_id | AC4 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NDP B 1340 |
| Chain | Residue |
| D | SER26 |
| D | ARG27 |
| D | SER314 |
| D | THR317 |
| D | TYR318 |
| B | ASP129 |
| B | VAL130 |
| B | ALA131 |
| B | ASN132 |
| B | ASN158 |
| B | GLY179 |
| B | ILE180 |
| B | GLY181 |
| B | THR188 |
| B | MET269 |
| B | SER270 |
| B | TYR285 |
| B | ARG286 |
| B | IMP1339 |
| B | HOH2130 |
| B | HOH2131 |
| B | HOH2132 |
| B | HOH2223 |
| B | HOH2243 |
| B | HOH2277 |
| B | HOH2278 |
| B | HOH2279 |
| B | HOH2280 |
| B | HOH2281 |
| B | HOH2283 |
| B | HOH2284 |
| B | HOH2285 |
| D | LYS25 |
| site_id | AC5 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE IMP C 1337 |
| Chain | Residue |
| C | ALA53 |
| C | MET55 |
| C | GLY183 |
| C | SER184 |
| C | CYS186 |
| C | ASP219 |
| C | GLY220 |
| C | GLY221 |
| C | MET240 |
| C | GLY242 |
| C | GLY243 |
| C | GLY268 |
| C | MET269 |
| C | SER270 |
| C | GLU289 |
| C | GLY290 |
| C | NDP1338 |
| C | HOH2061 |
| C | HOH2223 |
| C | HOH2324 |
| C | HOH2325 |
| C | HOH2326 |
| C | HOH2327 |
| site_id | AC6 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NDP C 1338 |
| Chain | Residue |
| A | LYS25 |
| A | SER26 |
| A | ARG27 |
| A | SER314 |
| A | THR317 |
| A | TYR318 |
| C | THR105 |
| C | ASP129 |
| C | VAL130 |
| C | ALA131 |
| C | ASN158 |
| C | GLY179 |
| C | ILE180 |
| C | GLY181 |
| C | THR188 |
| C | MET269 |
| C | SER270 |
| C | TYR285 |
| C | ARG286 |
| C | IMP1337 |
| C | HOH2168 |
| C | HOH2278 |
| C | HOH2328 |
| C | HOH2330 |
| C | HOH2331 |
| C | HOH2333 |
| C | HOH2334 |
| C | HOH2335 |
| site_id | AC7 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE IMP D 1337 |
| Chain | Residue |
| D | ALA53 |
| D | GLY183 |
| D | SER184 |
| D | CYS186 |
| D | ASP219 |
| D | GLY220 |
| D | GLY221 |
| D | MET240 |
| D | GLY242 |
| D | GLY243 |
| D | GLY268 |
| D | MET269 |
| D | SER270 |
| D | GLU289 |
| D | GLY290 |
| D | NDP1338 |
| D | HOH2162 |
| D | HOH2190 |
| D | HOH2295 |
| D | HOH2296 |
| D | HOH2297 |
| D | HOH2298 |
| D | HOH2299 |
| D | HOH2302 |
| site_id | AC8 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NDP D 1338 |
| Chain | Residue |
| C | LYS25 |
| C | SER26 |
| C | ARG27 |
| C | SER314 |
| C | THR317 |
| C | TYR318 |
| D | LYS78 |
| D | GLY104 |
| D | THR105 |
| D | VAL130 |
| D | ALA131 |
| D | MET269 |
| D | SER270 |
| D | MET275 |
| D | TYR285 |
| D | ARG286 |
| D | IMP1337 |
| D | HOH2135 |
| D | HOH2137 |
| D | HOH2252 |
| D | HOH2253 |
| D | HOH2300 |
| D | HOH2301 |
| D | HOH2302 |
| D | HOH2303 |
| D | HOH2304 |
| site_id | AC9 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE IMP E 1337 |
| Chain | Residue |
| E | ALA53 |
| E | MET55 |
| E | GLY183 |
| E | SER184 |
| E | CYS186 |
| E | ASP219 |
| E | GLY220 |
| E | GLY221 |
| E | MET240 |
| E | GLY242 |
| E | GLY243 |
| E | GLY268 |
| E | MET269 |
| E | SER270 |
| E | GLU289 |
| E | GLY290 |
| E | NDP1338 |
| E | HOH2059 |
| E | HOH2229 |
| E | HOH2339 |
| E | HOH2340 |
| E | HOH2341 |
| E | HOH2342 |
| E | HOH2346 |
| site_id | BC1 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NDP E 1338 |
| Chain | Residue |
| E | LYS78 |
| E | GLY104 |
| E | THR105 |
| E | VAL130 |
| E | ALA131 |
| E | ASN132 |
| E | MET269 |
| E | SER270 |
| E | MET275 |
| E | TYR285 |
| E | ARG286 |
| E | IMP1337 |
| E | HOH2167 |
| E | HOH2290 |
| E | HOH2291 |
| E | HOH2343 |
| E | HOH2344 |
| E | HOH2345 |
| E | HOH2346 |
| E | HOH2347 |
| E | HOH2348 |
| E | HOH2349 |
| E | HOH2350 |
| E | HOH2352 |
| F | LYS25 |
| F | SER26 |
| F | ARG27 |
| F | SER314 |
| F | THR317 |
| F | TYR318 |
| site_id | BC2 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE IMP F 1337 |
| Chain | Residue |
| F | ALA53 |
| F | MET55 |
| F | GLY183 |
| F | SER184 |
| F | CYS186 |
| F | ASP219 |
| F | GLY220 |
| F | GLY221 |
| F | MET240 |
| F | GLY242 |
| F | GLY243 |
| F | GLY268 |
| F | MET269 |
| F | SER270 |
| F | GLU289 |
| F | GLY290 |
| F | NDP1338 |
| F | HOH2062 |
| F | HOH2222 |
| F | HOH2225 |
| F | HOH2335 |
| F | HOH2336 |
| F | HOH2337 |
| site_id | BC3 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NDP F 1338 |
| Chain | Residue |
| F | ASP129 |
| F | VAL130 |
| F | ALA131 |
| F | ASN132 |
| F | ASN158 |
| F | GLY179 |
| F | ILE180 |
| F | GLY181 |
| F | THR188 |
| F | MET269 |
| F | SER270 |
| F | TYR285 |
| F | ARG286 |
| F | IMP1337 |
| F | HOH2164 |
| F | HOH2165 |
| F | HOH2166 |
| F | HOH2195 |
| F | HOH2288 |
| F | HOH2339 |
| F | HOH2340 |
| F | HOH2341 |
| F | HOH2343 |
| F | HOH2344 |
| F | HOH2345 |
| H | LYS25 |
| H | SER26 |
| H | ARG27 |
| H | SER314 |
| H | THR317 |
| H | TYR318 |
| site_id | BC4 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE IMP G 1338 |
| Chain | Residue |
| G | ALA53 |
| G | MET55 |
| G | GLY183 |
| G | SER184 |
| G | CYS186 |
| G | ASP219 |
| G | GLY220 |
| G | GLY221 |
| G | MET240 |
| G | GLY242 |
| G | GLY243 |
| G | GLY268 |
| G | MET269 |
| G | SER270 |
| G | GLU289 |
| G | GLY290 |
| G | HOH2058 |
| G | HOH2190 |
| G | HOH2211 |
| G | HOH2300 |
| G | HOH2301 |
| G | HOH2303 |
| G | HOH2304 |
| site_id | BC5 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE IMP H 1337 |
| Chain | Residue |
| H | ALA53 |
| H | MET55 |
| H | GLY183 |
| H | SER184 |
| H | CYS186 |
| H | ASP219 |
| H | GLY220 |
| H | GLY221 |
| H | MET240 |
| H | GLY242 |
| H | GLY243 |
| H | GLY268 |
| H | MET269 |
| H | SER270 |
| H | GLU289 |
| H | GLY290 |
| H | NDP1338 |
| H | HOH2067 |
| H | HOH2201 |
| H | HOH2228 |
| H | HOH2329 |
| H | HOH2330 |
| H | HOH2331 |
| H | HOH2332 |
| H | HOH2339 |
| site_id | BC6 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NDP H 1338 |
| Chain | Residue |
| G | LYS25 |
| G | SER26 |
| G | ARG27 |
| G | SER314 |
| G | THR317 |
| G | TYR318 |
| H | LYS78 |
| H | GLY104 |
| H | THR105 |
| H | VAL130 |
| H | ALA131 |
| H | MET269 |
| H | SER270 |
| H | MET275 |
| H | TYR285 |
| H | ARG286 |
| H | IMP1337 |
| H | HOH2165 |
| H | HOH2290 |
| H | HOH2291 |
| H | HOH2333 |
| H | HOH2334 |
| H | HOH2335 |
| H | HOH2336 |
| H | HOH2337 |
| H | HOH2338 |
| H | HOH2339 |
| H | HOH2340 |
Functional Information from PROSITE/UniProt
| site_id | PS00487 |
| Number of Residues | 13 |
| Details | IMP_DH_GMP_RED IMP dehydrogenase / GMP reductase signature. IKVGIGpGSVCtT |
| Chain | Residue | Details |
| A | ILE176-THR188 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | ACT_SITE: Thioimidate intermediate => ECO:0000255|HAMAP-Rule:MF_03195 |
| Chain | Residue | Details |
| A | CYS186 | |
| B | CYS186 | |
| C | CYS186 | |
| D | CYS186 | |
| E | CYS186 | |
| F | CYS186 | |
| G | CYS186 | |
| H | CYS186 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | ACT_SITE: Proton donor/acceptor => ECO:0000255|HAMAP-Rule:MF_03195 |
| Chain | Residue | Details |
| A | THR188 | |
| B | THR188 | |
| C | THR188 | |
| D | THR188 | |
| E | THR188 | |
| F | THR188 | |
| G | THR188 | |
| H | THR188 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_03195, ECO:0000269|PubMed:22037469 |
| Chain | Residue | Details |
| A | SER26 | |
| E | SER314 | |
| F | SER26 | |
| F | SER314 | |
| G | SER26 | |
| G | SER314 | |
| H | SER26 | |
| H | SER314 | |
| A | SER314 | |
| B | SER26 | |
| B | SER314 | |
| C | SER26 | |
| C | SER314 | |
| D | SER26 | |
| D | SER314 | |
| E | SER26 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 40 |
| Details | BINDING: in other chain => ECO:0000255|HAMAP-Rule:MF_03195, ECO:0000269|PubMed:22037469 |
| Chain | Residue | Details |
| A | LYS78 | |
| B | TYR285 | |
| C | LYS78 | |
| C | ASP129 | |
| C | ILE180 | |
| C | MET269 | |
| C | TYR285 | |
| D | LYS78 | |
| D | ASP129 | |
| D | ILE180 | |
| D | MET269 | |
| A | ASP129 | |
| D | TYR285 | |
| E | LYS78 | |
| E | ASP129 | |
| E | ILE180 | |
| E | MET269 | |
| E | TYR285 | |
| F | LYS78 | |
| F | ASP129 | |
| F | ILE180 | |
| F | MET269 | |
| A | ILE180 | |
| F | TYR285 | |
| G | LYS78 | |
| G | ASP129 | |
| G | ILE180 | |
| G | MET269 | |
| G | TYR285 | |
| H | LYS78 | |
| H | ASP129 | |
| H | ILE180 | |
| H | MET269 | |
| A | MET269 | |
| H | TYR285 | |
| A | TYR285 | |
| B | LYS78 | |
| B | ASP129 | |
| B | ILE180 | |
| B | MET269 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 64 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_03195 |
| Chain | Residue | Details |
| A | GLY181 | |
| B | GLY183 | |
| B | CYS186 | |
| B | ARG189 | |
| B | ASP219 | |
| B | GLY242 | |
| B | GLY268 | |
| B | ARG286 | |
| C | GLY181 | |
| C | GLY183 | |
| C | CYS186 | |
| A | GLY183 | |
| C | ARG189 | |
| C | ASP219 | |
| C | GLY242 | |
| C | GLY268 | |
| C | ARG286 | |
| D | GLY181 | |
| D | GLY183 | |
| D | CYS186 | |
| D | ARG189 | |
| D | ASP219 | |
| A | CYS186 | |
| D | GLY242 | |
| D | GLY268 | |
| D | ARG286 | |
| E | GLY181 | |
| E | GLY183 | |
| E | CYS186 | |
| E | ARG189 | |
| E | ASP219 | |
| E | GLY242 | |
| E | GLY268 | |
| A | ARG189 | |
| E | ARG286 | |
| F | GLY181 | |
| F | GLY183 | |
| F | CYS186 | |
| F | ARG189 | |
| F | ASP219 | |
| F | GLY242 | |
| F | GLY268 | |
| F | ARG286 | |
| G | GLY181 | |
| A | ASP219 | |
| G | GLY183 | |
| G | CYS186 | |
| G | ARG189 | |
| G | ASP219 | |
| G | GLY242 | |
| G | GLY268 | |
| G | ARG286 | |
| H | GLY181 | |
| H | GLY183 | |
| H | CYS186 | |
| A | GLY242 | |
| H | ARG189 | |
| H | ASP219 | |
| H | GLY242 | |
| H | GLY268 | |
| H | ARG286 | |
| A | GLY268 | |
| A | ARG286 | |
| B | GLY181 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 8 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS291 | |
| B | LYS291 | |
| C | LYS291 | |
| D | LYS291 | |
| E | LYS291 | |
| F | LYS291 | |
| G | LYS291 | |
| H | LYS291 |
