4J7X
Crystal structure of human sepiapterin reductase in complex with sulfasalazine
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004757 | molecular_function | sepiapterin reductase (NADP+) activity |
| A | 0005654 | cellular_component | nucleoplasm |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005829 | cellular_component | cytosol |
| A | 0006729 | biological_process | tetrahydrobiopterin biosynthetic process |
| A | 0006809 | biological_process | nitric oxide biosynthetic process |
| A | 0008106 | molecular_function | alcohol dehydrogenase (NADP+) activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0050661 | molecular_function | NADP binding |
| A | 0070062 | cellular_component | extracellular exosome |
| B | 0004757 | molecular_function | sepiapterin reductase (NADP+) activity |
| B | 0005654 | cellular_component | nucleoplasm |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005829 | cellular_component | cytosol |
| B | 0006729 | biological_process | tetrahydrobiopterin biosynthetic process |
| B | 0006809 | biological_process | nitric oxide biosynthetic process |
| B | 0008106 | molecular_function | alcohol dehydrogenase (NADP+) activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0050661 | molecular_function | NADP binding |
| B | 0070062 | cellular_component | extracellular exosome |
| F | 0004757 | molecular_function | sepiapterin reductase (NADP+) activity |
| F | 0005654 | cellular_component | nucleoplasm |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0005739 | cellular_component | mitochondrion |
| F | 0005829 | cellular_component | cytosol |
| F | 0006729 | biological_process | tetrahydrobiopterin biosynthetic process |
| F | 0006809 | biological_process | nitric oxide biosynthetic process |
| F | 0008106 | molecular_function | alcohol dehydrogenase (NADP+) activity |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0050661 | molecular_function | NADP binding |
| F | 0070062 | cellular_component | extracellular exosome |
| J | 0004757 | molecular_function | sepiapterin reductase (NADP+) activity |
| J | 0005654 | cellular_component | nucleoplasm |
| J | 0005737 | cellular_component | cytoplasm |
| J | 0005739 | cellular_component | mitochondrion |
| J | 0005829 | cellular_component | cytosol |
| J | 0006729 | biological_process | tetrahydrobiopterin biosynthetic process |
| J | 0006809 | biological_process | nitric oxide biosynthetic process |
| J | 0008106 | molecular_function | alcohol dehydrogenase (NADP+) activity |
| J | 0016491 | molecular_function | oxidoreductase activity |
| J | 0050661 | molecular_function | NADP binding |
| J | 0070062 | cellular_component | extracellular exosome |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NAP A 801 |
| Chain | Residue |
| A | GLY11 |
| A | ASP66 |
| A | LEU67 |
| A | ASN97 |
| A | GLY99 |
| A | LEU123 |
| A | ILE152 |
| A | SER153 |
| A | TYR167 |
| A | LYS171 |
| A | PRO195 |
| A | SER13 |
| A | GLY196 |
| A | PRO197 |
| A | LEU198 |
| A | THR200 |
| A | MET202 |
| A | GLN203 |
| A | SAS806 |
| A | HOH902 |
| A | HOH917 |
| A | ARG14 |
| A | GLY15 |
| A | PHE16 |
| A | ALA38 |
| A | ARG39 |
| A | ASN40 |
| A | ALA65 |
| site_id | AC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 A 802 |
| Chain | Residue |
| A | ARG39 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 803 |
| Chain | Residue |
| A | LYS87 |
| A | GLY88 |
| A | HOH916 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 804 |
| Chain | Residue |
| A | LYS87 |
| J | ARG14 |
| J | GLY15 |
| J | ARG18 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 805 |
| Chain | Residue |
| A | GLY15 |
| F | LYS87 |
| site_id | AC6 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE SAS A 806 |
| Chain | Residue |
| A | SER154 |
| A | LEU155 |
| A | PHE161 |
| A | TRP164 |
| A | TYR167 |
| A | GLY196 |
| A | PRO197 |
| A | MET202 |
| A | GLN203 |
| A | ASP214 |
| A | NAP801 |
| A | PEG807 |
| A | HOH909 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG A 807 |
| Chain | Residue |
| A | SAS806 |
| A | HOH933 |
| site_id | AC8 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NAP B 801 |
| Chain | Residue |
| B | GLY11 |
| B | SER13 |
| B | ARG14 |
| B | GLY15 |
| B | PHE16 |
| B | ARG39 |
| B | ASN40 |
| B | ALA65 |
| B | ASP66 |
| B | LEU67 |
| B | ASN97 |
| B | ALA98 |
| B | LEU123 |
| B | ILE152 |
| B | SER153 |
| B | TYR167 |
| B | LYS171 |
| B | PRO195 |
| B | GLY196 |
| B | PRO197 |
| B | LEU198 |
| B | THR200 |
| B | MET202 |
| B | GLN203 |
| B | SAS804 |
| B | HOH905 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 B 802 |
| Chain | Residue |
| B | ARG39 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 803 |
| Chain | Residue |
| B | ARG14 |
| B | GLY15 |
| B | ARG18 |
| site_id | BC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE SAS B 804 |
| Chain | Residue |
| B | SER154 |
| B | LEU155 |
| B | PHE161 |
| B | TYR167 |
| B | GLY196 |
| B | PRO197 |
| B | MET202 |
| B | GLN203 |
| B | ASP214 |
| B | MET215 |
| B | NAP801 |
| B | SO4805 |
| B | HOH903 |
| site_id | BC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 805 |
| Chain | Residue |
| B | SAS804 |
| B | PEG806 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG B 806 |
| Chain | Residue |
| B | TYR256 |
| B | SO4805 |
| B | ASP254 |
| site_id | BC5 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NAP F 801 |
| Chain | Residue |
| F | GLY11 |
| F | SER13 |
| F | ARG14 |
| F | GLY15 |
| F | PHE16 |
| F | ARG39 |
| F | ASN40 |
| F | ALA65 |
| F | ASP66 |
| F | LEU67 |
| F | ASN97 |
| F | ALA98 |
| F | GLY99 |
| F | LEU123 |
| F | ILE152 |
| F | SER153 |
| F | TYR167 |
| F | LYS171 |
| F | PRO195 |
| F | GLY196 |
| F | PRO197 |
| F | LEU198 |
| F | THR200 |
| F | MET202 |
| F | GLN203 |
| F | SAS805 |
| F | HOH910 |
| F | HOH913 |
| site_id | BC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 F 802 |
| Chain | Residue |
| F | ARG39 |
| site_id | BC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 F 803 |
| Chain | Residue |
| F | LYS87 |
| F | GLY88 |
| site_id | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL F 804 |
| Chain | Residue |
| A | ARG45 |
| F | ALA53 |
| F | LEU58 |
| F | ARG59 |
| F | VAL60 |
| site_id | BC9 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SAS F 805 |
| Chain | Residue |
| F | SER154 |
| F | LEU155 |
| F | PHE161 |
| F | TYR167 |
| F | GLY196 |
| F | PRO197 |
| F | MET202 |
| F | GLN203 |
| F | ASP214 |
| F | GLY218 |
| F | NAP801 |
| F | HOH904 |
| site_id | CC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE PEG F 807 |
| Chain | Residue |
| F | GLN159 |
| site_id | CC2 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NAP J 801 |
| Chain | Residue |
| J | GLY11 |
| J | SER13 |
| J | ARG14 |
| J | GLY15 |
| J | PHE16 |
| J | ALA38 |
| J | ARG39 |
| J | ASN40 |
| J | ALA65 |
| J | ASP66 |
| J | LEU67 |
| J | ASN97 |
| J | ALA98 |
| J | GLY99 |
| J | LEU123 |
| J | ILE152 |
| J | SER153 |
| J | TYR167 |
| J | LYS171 |
| J | PRO195 |
| J | GLY196 |
| J | PRO197 |
| J | LEU198 |
| J | THR200 |
| J | MET202 |
| J | GLN203 |
| J | SAS804 |
| J | HOH906 |
| site_id | CC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 J 802 |
| Chain | Residue |
| J | ARG39 |
| site_id | CC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL J 803 |
| Chain | Residue |
| A | ARG59 |
| J | ARG45 |
| site_id | CC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SAS J 804 |
| Chain | Residue |
| J | SER154 |
| J | LEU155 |
| J | TYR167 |
| J | GLY196 |
| J | PRO197 |
| J | GLN203 |
| J | ASP214 |
| J | MET215 |
| J | NAP801 |
| J | PEG805 |
| J | HOH905 |
| site_id | CC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG J 805 |
| Chain | Residue |
| J | SAS804 |
| J | PEG806 |
| site_id | CC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE PEG J 806 |
| Chain | Residue |
| J | PEG805 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|Ref.14 |
| Chain | Residue | Details |
| A | GLY11 | |
| F | ARG39 | |
| F | ASP66 | |
| F | LEU198 | |
| J | GLY11 | |
| J | ARG39 | |
| J | ASP66 | |
| J | LEU198 | |
| A | ARG39 | |
| A | ASP66 | |
| A | LEU198 | |
| B | GLY11 | |
| B | ARG39 | |
| B | ASP66 | |
| B | LEU198 | |
| F | GLY11 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | SER154 | |
| B | ASP254 | |
| F | SER154 | |
| F | TYR167 | |
| F | LYS171 | |
| F | GLY196 | |
| F | ASP254 | |
| J | SER154 | |
| J | TYR167 | |
| J | LYS171 | |
| J | GLY196 | |
| A | TYR167 | |
| J | ASP254 | |
| A | LYS171 | |
| A | GLY196 | |
| A | ASP254 | |
| B | SER154 | |
| B | TYR167 | |
| B | LYS171 | |
| B | GLY196 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | MOD_RES: N-acetylmethionine => ECO:0000250|UniProtKB:P18297 |
| Chain | Residue | Details |
| A | MET-2 | |
| B | MET-2 | |
| F | MET-2 | |
| J | MET-2 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P18297 |
| Chain | Residue | Details |
| A | SER29 | |
| B | SER29 | |
| F | SER29 | |
| J | SER29 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER100 | |
| B | SER100 | |
| F | SER100 | |
| J | SER100 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine; by CaMK2; in vitro => ECO:0000269|PubMed:11825621 |
| Chain | Residue | Details |
| A | SER210 | |
| B | SER210 | |
| F | SER210 | |
| J | SER210 |
