5L42
Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 3
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 | 14 |
| Details | binding site for residue 6J6 A 301 |
| Chain | Residue |
| A | ARG17 |
| A | ACT307 |
| A | HOH466 |
| A | HOH486 |
| D | ARG287 |
| D | HOH456 |
| A | SER111 |
| A | PHE113 |
| A | LEU188 |
| A | TYR194 |
| A | GLY225 |
| A | LEU226 |
| A | TYR283 |
| A | NDP302 |
| site_id | AC2 |
| Number of Residues | 35 |
| Details | binding site for residue NDP A 302 |
| Chain | Residue |
| A | ARG17 |
| A | LEU18 |
| A | HIS36 |
| A | TYR37 |
| A | HIS38 |
| A | ARG39 |
| A | SER40 |
| A | ALA64 |
| A | ASP65 |
| A | LEU66 |
| A | SER67 |
| A | ASN109 |
| A | ALA110 |
| A | SER111 |
| A | SER112 |
| A | ASP142 |
| A | MET179 |
| A | VAL180 |
| A | ASP181 |
| A | TYR194 |
| A | LYS198 |
| A | PRO224 |
| A | GLY225 |
| A | LEU226 |
| A | SER227 |
| A | 6J6301 |
| A | ACT307 |
| A | HOH402 |
| A | HOH409 |
| A | HOH421 |
| A | HOH427 |
| A | HOH431 |
| A | HOH436 |
| A | HOH451 |
| A | HOH507 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 303 |
| Chain | Residue |
| A | TYR97 |
| A | ARG161 |
| A | THR165 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 304 |
| Chain | Residue |
| A | GLN216 |
| A | LYS270 |
| C | ARG250 |
| D | ARG54 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue ACT A 305 |
| Chain | Residue |
| A | HIS99 |
| A | TRP100 |
| A | GLY101 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue ACT A 306 |
| Chain | Residue |
| A | ARG20 |
| A | THR50 |
| A | HOH475 |
| B | ARG20 |
| B | THR50 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue ACT A 307 |
| Chain | Residue |
| A | ARG17 |
| A | 6J6301 |
| A | NDP302 |
| A | HOH497 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue PGE A 308 |
| Chain | Residue |
| A | TYR248 |
| A | ARG250 |
| A | HOH415 |
| A | HOH416 |
| C | GLN216 |
| C | LYS270 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 309 |
| Chain | Residue |
| A | PRO166 |
| A | LYS168 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 310 |
| Chain | Residue |
| A | VAL6 |
| A | ASN57 |
| A | SER58 |
| A | HOH438 |
| site_id | AD2 |
| Number of Residues | 13 |
| Details | binding site for residue 6J6 B 301 |
| Chain | Residue |
| B | ARG17 |
| B | SER111 |
| B | PHE113 |
| B | TYR194 |
| B | GLY225 |
| B | LEU226 |
| B | TYR283 |
| B | NDP302 |
| B | HOH491 |
| B | HOH493 |
| B | HOH539 |
| C | ARG287 |
| C | HOH572 |
| site_id | AD3 |
| Number of Residues | 34 |
| Details | binding site for residue NDP B 302 |
| Chain | Residue |
| 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 | 6J6301 |
| B | GOL305 |
| B | HOH408 |
| B | HOH421 |
| B | HOH443 |
| B | HOH445 |
| B | HOH449 |
| B | HOH459 |
| B | HOH473 |
| B | HOH517 |
| B | ARG17 |
| B | LEU18 |
| B | HIS36 |
| B | TYR37 |
| B | HIS38 |
| B | ARG39 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 303 |
| Chain | Residue |
| B | GLN216 |
| B | LYS270 |
| B | HOH450 |
| D | TYR248 |
| D | ARG250 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 304 |
| Chain | Residue |
| B | VAL228 |
| B | ARG242 |
| B | ARG250 |
| B | ASP251 |
| B | SER252 |
| B | HOH544 |
| site_id | AD6 |
| Number of Residues | 9 |
| Details | binding site for residue GOL B 305 |
| Chain | Residue |
| A | VAL230 |
| A | ASP231 |
| A | ASP232 |
| B | NDP302 |
| B | HOH421 |
| B | HOH427 |
| B | HOH443 |
| B | HOH449 |
| B | HOH507 |
| site_id | AD7 |
| Number of Residues | 5 |
| Details | binding site for residue ACT B 306 |
| Chain | Residue |
| B | TYR248 |
| B | ARG250 |
| B | HOH489 |
| D | GLN216 |
| D | LYS270 |
| site_id | AD8 |
| Number of Residues | 12 |
| Details | binding site for residue 6J6 C 301 |
| Chain | Residue |
| B | ARG287 |
| C | ARG17 |
| C | SER111 |
| C | PHE113 |
| C | LEU188 |
| C | TYR194 |
| C | LEU226 |
| C | LEU229 |
| C | NDP302 |
| C | GOL303 |
| C | HOH423 |
| C | HOH523 |
| site_id | AD9 |
| Number of Residues | 36 |
| Details | binding site for residue NDP C 302 |
| Chain | Residue |
| C | ARG17 |
| C | LEU18 |
| C | HIS36 |
| C | TYR37 |
| C | HIS38 |
| C | ARG39 |
| C | SER40 |
| C | ALA64 |
| C | ASP65 |
| C | LEU66 |
| C | SER67 |
| C | ASN109 |
| C | ALA110 |
| C | SER111 |
| C | SER112 |
| C | ASP142 |
| C | SER146 |
| C | MET179 |
| C | VAL180 |
| C | ASP181 |
| C | TYR194 |
| C | LYS198 |
| C | PRO224 |
| C | GLY225 |
| C | LEU226 |
| C | SER227 |
| C | 6J6301 |
| C | GOL303 |
| C | HOH416 |
| C | HOH421 |
| C | HOH458 |
| C | HOH465 |
| C | HOH472 |
| C | HOH490 |
| C | HOH506 |
| C | HOH536 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue GOL C 303 |
| Chain | Residue |
| C | ARG17 |
| C | PHE113 |
| C | VAL230 |
| C | 6J6301 |
| C | NDP302 |
| site_id | AE2 |
| Number of Residues | 2 |
| Details | binding site for residue EDO C 304 |
| Chain | Residue |
| C | HOH414 |
| C | HOH509 |
| site_id | AE3 |
| Number of Residues | 12 |
| Details | binding site for residue 6J6 D 301 |
| Chain | Residue |
| A | ARG287 |
| D | ARG17 |
| D | SER111 |
| D | PHE113 |
| D | TYR194 |
| D | LEU226 |
| D | LEU229 |
| D | HIS241 |
| D | NDP302 |
| D | EDO304 |
| D | HOH444 |
| D | HOH534 |
| site_id | AE4 |
| Number of Residues | 34 |
| Details | binding site for residue NDP D 302 |
| Chain | Residue |
| D | ARG17 |
| D | LEU18 |
| D | TYR37 |
| D | HIS38 |
| D | ARG39 |
| D | SER40 |
| D | ALA64 |
| D | ASP65 |
| D | LEU66 |
| D | SER67 |
| D | ASN109 |
| D | ALA110 |
| D | SER111 |
| D | SER112 |
| D | ASP142 |
| D | MET179 |
| D | VAL180 |
| D | ASP181 |
| D | TYR194 |
| D | LYS198 |
| D | PRO224 |
| D | GLY225 |
| D | LEU226 |
| D | SER227 |
| D | 6J6301 |
| D | EDO304 |
| D | HOH412 |
| D | HOH418 |
| D | HOH423 |
| D | HOH434 |
| D | HOH455 |
| D | HOH468 |
| D | HOH470 |
| D | HOH485 |
| site_id | AE5 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 303 |
| Chain | Residue |
| D | HIS169 |
| D | HOH471 |
| D | HOH562 |
| site_id | AE6 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 304 |
| Chain | Residue |
| D | 6J6301 |
| D | NDP302 |
| D | HOH527 |
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 | Active site: {"description":"Proton acceptor"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 92 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11373620","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
