2BFA
Leishmania major pteridine reductase 1 in complex with NADP and CB3717
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004155 | molecular_function | 6,7-dihydropteridine reductase activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0006729 | biological_process | tetrahydrobiopterin biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0031427 | biological_process | response to methotrexate |
| A | 0047040 | molecular_function | pteridine reductase activity |
| B | 0004155 | molecular_function | 6,7-dihydropteridine reductase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0006729 | biological_process | tetrahydrobiopterin biosynthetic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0031427 | biological_process | response to methotrexate |
| B | 0047040 | molecular_function | pteridine reductase activity |
| C | 0004155 | molecular_function | 6,7-dihydropteridine reductase activity |
| C | 0005829 | cellular_component | cytosol |
| C | 0006729 | biological_process | tetrahydrobiopterin biosynthetic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0031427 | biological_process | response to methotrexate |
| C | 0047040 | molecular_function | pteridine reductase activity |
| D | 0004155 | molecular_function | 6,7-dihydropteridine reductase activity |
| D | 0005829 | cellular_component | cytosol |
| D | 0006729 | biological_process | tetrahydrobiopterin biosynthetic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0031427 | biological_process | response to methotrexate |
| D | 0047040 | molecular_function | pteridine reductase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NDP A1289 |
| Chain | Residue |
| A | ARG17 |
| A | LEU66 |
| A | ASN109 |
| A | ALA110 |
| A | SER111 |
| A | SER112 |
| A | ASP142 |
| A | MET179 |
| A | VAL180 |
| A | ASP181 |
| A | LYS198 |
| A | LEU18 |
| A | PRO224 |
| A | GLY225 |
| A | LEU226 |
| A | SER227 |
| A | CB31290 |
| A | HOH2029 |
| A | HOH2055 |
| A | HOH2056 |
| A | HOH2057 |
| A | HOH2058 |
| A | HIS36 |
| A | TYR37 |
| A | HIS38 |
| A | ARG39 |
| A | SER40 |
| A | ALA64 |
| A | ASP65 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE CB3 A1290 |
| Chain | Residue |
| A | ARG17 |
| A | SER111 |
| A | PHE113 |
| A | LEU188 |
| A | TYR194 |
| A | LEU226 |
| A | HIS241 |
| A | TYR283 |
| A | NDP1289 |
| A | EDO1291 |
| D | ARG287 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A1291 |
| Chain | Residue |
| A | ASP181 |
| A | LEU188 |
| A | TYR194 |
| A | CB31290 |
| A | HOH2028 |
| A | HOH2059 |
| D | ARG287 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A1292 |
| Chain | Residue |
| A | GLY199 |
| A | GLU202 |
| A | ARG206 |
| B | GLY199 |
| B | GLU202 |
| B | ARG206 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A1293 |
| Chain | Residue |
| A | THR184 |
| A | THR195 |
| A | GLY199 |
| A | HOH2024 |
| B | GLY203 |
| B | ARG206 |
| site_id | AC6 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NDP B1289 |
| Chain | Residue |
| B | ARG17 |
| B | LEU18 |
| B | HIS36 |
| B | TYR37 |
| B | HIS38 |
| B | ARG39 |
| B | SER40 |
| B | ALA64 |
| B | ASP65 |
| B | LEU66 |
| B | ASN109 |
| B | ALA110 |
| B | SER111 |
| B | SER112 |
| B | ASP142 |
| B | MET179 |
| B | VAL180 |
| B | ASP181 |
| B | TYR194 |
| B | LYS198 |
| B | PRO224 |
| B | GLY225 |
| B | LEU226 |
| B | SER227 |
| B | CB31290 |
| B | HOH2040 |
| B | HOH2041 |
| B | HOH2042 |
| site_id | AC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE CB3 B1290 |
| Chain | Residue |
| C | HOH2057 |
| B | ARG17 |
| B | SER111 |
| B | PHE113 |
| B | LEU188 |
| B | TYR194 |
| B | LEU226 |
| B | LEU229 |
| B | HIS241 |
| B | TYR283 |
| B | NDP1289 |
| C | ARG287 |
| C | ALA288 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B1291 |
| Chain | Residue |
| A | ASN68 |
| A | ILE149 |
| B | ASN68 |
| B | ILE149 |
| site_id | AC9 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NDP C1289 |
| Chain | Residue |
| C | ARG17 |
| C | LEU18 |
| C | HIS36 |
| C | TYR37 |
| C | HIS38 |
| C | ARG39 |
| C | SER40 |
| C | ALA64 |
| C | ASP65 |
| C | LEU66 |
| C | ASN109 |
| C | ALA110 |
| C | SER111 |
| C | SER112 |
| C | ASP142 |
| C | MET179 |
| C | VAL180 |
| C | ASP181 |
| C | TYR194 |
| C | LYS198 |
| C | PRO224 |
| C | GLY225 |
| C | LEU226 |
| C | SER227 |
| C | CB31290 |
| C | HOH2039 |
| C | HOH2059 |
| C | HOH2060 |
| C | HOH2061 |
| C | HOH2062 |
| site_id | BC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE CB3 C1290 |
| Chain | Residue |
| B | ARG287 |
| B | ALA288 |
| B | HOH2039 |
| C | ARG17 |
| C | SER111 |
| C | PHE113 |
| C | LEU188 |
| C | LEU189 |
| C | TYR194 |
| C | LEU226 |
| C | TYR283 |
| C | NDP1289 |
| C | HOH2063 |
| site_id | BC2 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NDP D1289 |
| Chain | Residue |
| D | ARG17 |
| D | LEU18 |
| D | TYR37 |
| D | HIS38 |
| D | ARG39 |
| D | SER40 |
| D | ALA64 |
| D | ASP65 |
| D | LEU66 |
| D | ASN109 |
| D | ALA110 |
| D | SER111 |
| D | SER112 |
| D | ASP142 |
| D | VAL180 |
| D | ASP181 |
| D | TYR194 |
| D | LYS198 |
| D | PRO224 |
| D | GLY225 |
| D | LEU226 |
| D | SER227 |
| D | CB31290 |
| D | HOH2021 |
| D | HOH2043 |
| D | HOH2044 |
| D | HOH2045 |
| D | HOH2046 |
| site_id | BC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE CB3 D1290 |
| Chain | Residue |
| A | ARG287 |
| A | ALA288 |
| D | ARG17 |
| D | SER111 |
| D | PHE113 |
| D | PRO187 |
| D | LEU188 |
| D | LEU189 |
| D | TYR194 |
| D | LEU226 |
| D | HIS241 |
| D | TYR283 |
| D | NDP1289 |
| D | EDO1291 |
| site_id | BC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO D1291 |
| Chain | Residue |
| A | ARG287 |
| D | ASP181 |
| D | LEU188 |
| D | TYR194 |
| D | CB31290 |
| D | HOH2019 |
| D | HOH2025 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D1292 |
| Chain | Residue |
| C | ASN68 |
| C | ILE149 |
| D | ASN68 |
| D | ILE149 |
| D | HOH2047 |
Functional Information from PROSITE/UniProt
| site_id | PS00061 |
| Number of Residues | 29 |
| Details | ADH_SHORT Short-chain dehydrogenases/reductases family signature. DamtnqpllgYtiYTMAKGALeGLTrSAA |
| Chain | Residue | Details |
| A | ASP181-ALA209 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | TYR194 | |
| B | TYR194 | |
| C | TYR194 | |
| D | TYR194 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | ARG17 | |
| B | ARG17 | |
| C | ARG17 | |
| D | ARG17 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11373620 |
| Chain | Residue | Details |
| A | SER175 | |
| B | SER175 | |
| C | SER175 | |
| D | SER175 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| A | LYS198 | |
| A | TYR191 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| B | LYS198 | |
| B | TYR191 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| C | LYS198 | |
| C | TYR191 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| D | LYS198 | |
| D | TYR191 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| A | LYS198 | |
| A | TYR194 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| B | LYS198 | |
| B | TYR194 |
| site_id | CSA7 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| C | LYS198 | |
| C | TYR194 |
| site_id | CSA8 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| D | LYS198 | |
| D | TYR194 |
