2X9N
High resolution structure of TbPTR1 in complex with cyromazine
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0047040 | molecular_function | pteridine reductase activity |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0047040 | molecular_function | pteridine reductase activity |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0047040 | molecular_function | pteridine reductase activity |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0047040 | molecular_function | pteridine reductase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAP A 1269 |
| Chain | Residue |
| A | ARG14 |
| A | THR64 |
| A | ASN93 |
| A | ALA94 |
| A | SER95 |
| A | THR126 |
| A | LEU159 |
| A | CYS160 |
| A | TYR174 |
| A | LYS178 |
| A | PRO204 |
| A | ILE15 |
| A | GLY205 |
| A | SER207 |
| A | LEU208 |
| A | AX31270 |
| A | DTD1271 |
| A | HOH2090 |
| A | HOH2231 |
| A | HOH2283 |
| A | HOH2373 |
| A | HOH2374 |
| A | TYR34 |
| A | HOH2375 |
| A | HOH2378 |
| A | HOH2379 |
| A | HOH2380 |
| A | HOH2381 |
| A | HIS35 |
| A | ASN36 |
| A | SER37 |
| A | ALA61 |
| A | ASP62 |
| A | LEU63 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE AX3 A 1270 |
| Chain | Residue |
| A | ARG14 |
| A | SER95 |
| A | PHE97 |
| A | TYR174 |
| A | LEU208 |
| A | LEU209 |
| A | PRO210 |
| A | NAP1269 |
| A | DTD1271 |
| A | HOH2381 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE DTD A 1271 |
| Chain | Residue |
| A | CYS168 |
| A | LEU209 |
| A | TRP221 |
| A | NAP1269 |
| A | AX31270 |
| A | HOH2264 |
| A | HOH2299 |
| A | HOH2382 |
| site_id | AC4 |
| Number of Residues | 35 |
| Details | BINDING SITE FOR RESIDUE NAP B 1269 |
| Chain | Residue |
| B | ARG14 |
| B | ILE15 |
| B | TYR34 |
| B | HIS35 |
| B | ASN36 |
| B | SER37 |
| B | ALA61 |
| B | ASP62 |
| B | LEU63 |
| B | THR64 |
| B | ASN93 |
| B | ALA94 |
| B | SER95 |
| B | THR126 |
| B | LEU159 |
| B | CYS160 |
| B | TYR174 |
| B | LYS178 |
| B | PRO204 |
| B | GLY205 |
| B | VAL206 |
| B | SER207 |
| B | LEU208 |
| B | AX31270 |
| B | D1D1271 |
| B | HOH2067 |
| B | HOH2179 |
| B | HOH2233 |
| B | HOH2313 |
| B | HOH2314 |
| B | HOH2315 |
| B | HOH2316 |
| B | HOH2317 |
| B | HOH2318 |
| B | HOH2319 |
| site_id | AC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE AX3 B 1270 |
| Chain | Residue |
| B | ARG14 |
| B | SER95 |
| B | PHE97 |
| B | TYR174 |
| B | LEU208 |
| B | LEU209 |
| B | PRO210 |
| B | NAP1269 |
| B | D1D1271 |
| B | HOH2180 |
| B | HOH2249 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE D1D B 1271 |
| Chain | Residue |
| B | CYS168 |
| B | VAL206 |
| B | PRO210 |
| B | MET213 |
| B | TRP221 |
| B | NAP1269 |
| B | AX31270 |
| B | HOH2320 |
| B | HOH2321 |
| B | ASP161 |
| site_id | AC7 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAP C 1269 |
| Chain | Residue |
| C | ARG14 |
| C | ILE15 |
| C | TYR34 |
| C | HIS35 |
| C | ASN36 |
| C | SER37 |
| C | ALA61 |
| C | ASP62 |
| C | LEU63 |
| C | THR64 |
| C | ASN93 |
| C | ALA94 |
| C | SER95 |
| C | THR126 |
| C | LEU159 |
| C | CYS160 |
| C | TYR174 |
| C | LYS178 |
| C | PRO204 |
| C | GLY205 |
| C | SER207 |
| C | LEU208 |
| C | AX31270 |
| C | DTD1271 |
| C | HOH2073 |
| C | HOH2203 |
| C | HOH2268 |
| C | HOH2347 |
| C | HOH2348 |
| C | HOH2349 |
| C | HOH2350 |
| C | HOH2351 |
| C | HOH2352 |
| C | HOH2353 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE AX3 C 1270 |
| Chain | Residue |
| C | ARG14 |
| C | SER95 |
| C | PHE97 |
| C | TYR174 |
| C | LEU208 |
| C | LEU209 |
| C | PRO210 |
| C | NAP1269 |
| C | DTD1271 |
| C | HOH2206 |
| C | HOH2287 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE DTD C 1271 |
| Chain | Residue |
| C | ASP161 |
| C | VAL206 |
| C | LEU209 |
| C | TRP221 |
| C | NAP1269 |
| C | AX31270 |
| C | HOH2251 |
| C | HOH2355 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT C 1272 |
| Chain | Residue |
| C | LYS13 |
| C | ARG14 |
| C | ARG17 |
| C | HOH2017 |
| C | HOH2356 |
| site_id | BC2 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NAP D 1269 |
| Chain | Residue |
| D | ARG14 |
| D | ILE15 |
| D | TYR34 |
| D | HIS35 |
| D | ASN36 |
| D | SER37 |
| D | ALA61 |
| D | ASP62 |
| D | LEU63 |
| D | THR64 |
| D | ASN93 |
| D | ALA94 |
| D | SER95 |
| D | THR126 |
| D | LEU159 |
| D | CYS160 |
| D | TYR174 |
| D | LYS178 |
| D | PRO204 |
| D | GLY205 |
| D | SER207 |
| D | LEU208 |
| D | AX31270 |
| D | D1D1271 |
| D | HOH2013 |
| D | HOH2071 |
| D | HOH2184 |
| D | HOH2241 |
| D | HOH2318 |
| D | HOH2319 |
| D | HOH2320 |
| D | HOH2321 |
| D | HOH2323 |
| site_id | BC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE AX3 D 1270 |
| Chain | Residue |
| D | ARG14 |
| D | SER95 |
| D | PHE97 |
| D | TYR174 |
| D | LEU208 |
| D | LEU209 |
| D | PRO210 |
| D | NAP1269 |
| D | D1D1271 |
| D | HOH2188 |
| site_id | BC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE D1D D 1271 |
| Chain | Residue |
| D | ASP161 |
| D | CYS168 |
| D | VAL206 |
| D | PRO210 |
| D | MET213 |
| D | TRP221 |
| D | NAP1269 |
| D | AX31270 |
| D | HOH2224 |
| D | HOH2226 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA A 1272 |
| Chain | Residue |
| A | ASN36 |
| A | HOH2093 |
| A | HOH2095 |
| D | HOH2034 |
| D | HOH2093 |
| D | HOH2096 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA D 1272 |
| Chain | Residue |
| A | HOH2136 |
| A | HOH2140 |
| D | HOH2129 |
| D | HOH2132 |
| D | HOH2136 |
| D | HOH2155 |
Functional Information from PROSITE/UniProt
| site_id | PS00061 |
| Number of Residues | 29 |
| Details | ADH_SHORT Short-chain dehydrogenases/reductases family signature. DamvdqpcmaFslYNMGKHALvGLTqSAA |
| Chain | Residue | Details |
| A | ASP161-ALA189 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 237 |
| Chain | Residue | Details |
| A | ARG14 | electrostatic stabiliser, hydrogen bond donor, steric role |
| A | ASP161 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| A | TYR174 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 237 |
| Chain | Residue | Details |
| B | ARG14 | electrostatic stabiliser, hydrogen bond donor, steric role |
| B | ASP161 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| B | TYR174 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| site_id | MCSA3 |
| Number of Residues | 3 |
| Details | M-CSA 237 |
| Chain | Residue | Details |
| C | ARG14 | electrostatic stabiliser, hydrogen bond donor, steric role |
| C | ASP161 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| C | TYR174 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| site_id | MCSA4 |
| Number of Residues | 3 |
| Details | M-CSA 237 |
| Chain | Residue | Details |
| D | ARG14 | electrostatic stabiliser, hydrogen bond donor, steric role |
| D | ASP161 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| D | TYR174 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
