4HWK
Crystal structure of human sepiapterin reductase in complex with sulfapyridine
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 |
| C | 0004757 | molecular_function | sepiapterin reductase (NADP+) activity |
| C | 0005654 | cellular_component | nucleoplasm |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0005829 | cellular_component | cytosol |
| C | 0006729 | biological_process | tetrahydrobiopterin biosynthetic process |
| C | 0006809 | biological_process | nitric oxide biosynthetic process |
| C | 0008106 | molecular_function | alcohol dehydrogenase (NADP+) activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0050661 | molecular_function | NADP binding |
| C | 0070062 | cellular_component | extracellular exosome |
| D | 0004757 | molecular_function | sepiapterin reductase (NADP+) activity |
| D | 0005654 | cellular_component | nucleoplasm |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005739 | cellular_component | mitochondrion |
| D | 0005829 | cellular_component | cytosol |
| D | 0006729 | biological_process | tetrahydrobiopterin biosynthetic process |
| D | 0006809 | biological_process | nitric oxide biosynthetic process |
| D | 0008106 | molecular_function | alcohol dehydrogenase (NADP+) activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0050661 | molecular_function | NADP binding |
| D | 0070062 | cellular_component | extracellular exosome |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAP A 801 |
| Chain | Residue |
| A | GLY11 |
| A | ASP66 |
| A | LEU67 |
| A | ASN97 |
| A | ALA98 |
| 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 | SFY807 |
| A | HOH901 |
| A | HOH902 |
| A | HOH903 |
| A | ARG14 |
| A | HOH914 |
| A | HOH921 |
| A | HOH926 |
| A | HOH937 |
| A | HOH956 |
| A | GLY15 |
| A | PHE16 |
| A | ALA38 |
| A | ARG39 |
| A | ASN40 |
| A | ALA65 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 802 |
| Chain | Residue |
| A | ARG39 |
| A | HOH921 |
| A | HOH991 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL A 803 |
| Chain | Residue |
| A | LYS87 |
| A | GLY88 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 804 |
| Chain | Residue |
| A | GLY196 |
| A | ASP254 |
| A | SFY807 |
| A | SO4808 |
| A | HOH905 |
| A | HOH1004 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 805 |
| Chain | Residue |
| A | ARG45 |
| A | ARG62 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 806 |
| Chain | Residue |
| A | ASP199 |
| A | GLY226 |
| A | LEU228 |
| C | ASP230 |
| C | HOH967 |
| site_id | AC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE SFY A 807 |
| Chain | Residue |
| A | SER154 |
| A | LEU155 |
| A | CYS156 |
| A | PHE161 |
| A | TRP164 |
| A | TYR167 |
| A | GLY196 |
| A | PRO197 |
| A | GLN203 |
| A | NAP801 |
| A | GOL804 |
| A | PEG810 |
| A | HOH905 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 808 |
| Chain | Residue |
| A | TYR256 |
| A | GOL804 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 809 |
| Chain | Residue |
| A | GLY15 |
| A | ASP201 |
| A | HOH901 |
| B | LYS87 |
| site_id | BC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG A 810 |
| Chain | Residue |
| A | SFY807 |
| A | HOH1004 |
| site_id | BC2 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAP B 801 |
| Chain | Residue |
| B | HOH903 |
| B | HOH908 |
| B | HOH912 |
| B | HOH914 |
| B | HOH926 |
| B | HOH931 |
| B | HOH947 |
| B | HOH969 |
| B | GLY11 |
| B | SER13 |
| B | ARG14 |
| B | GLY15 |
| B | PHE16 |
| B | ALA38 |
| 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 | SFY806 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 802 |
| Chain | Residue |
| B | ARG39 |
| B | HOH931 |
| B | HOH932 |
| site_id | BC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL B 803 |
| Chain | Residue |
| B | ASP254 |
| B | SFY806 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 804 |
| Chain | Residue |
| A | ARG45 |
| B | ARG59 |
| B | VAL60 |
| B | HOH974 |
| site_id | BC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 805 |
| Chain | Residue |
| B | LYS87 |
| B | GLY88 |
| site_id | BC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE SFY B 806 |
| Chain | Residue |
| B | SER154 |
| B | LEU155 |
| B | CYS156 |
| B | PHE161 |
| B | TRP164 |
| B | TYR167 |
| B | GLY196 |
| B | PRO197 |
| B | GLN203 |
| B | NAP801 |
| B | GOL803 |
| B | GOL807 |
| B | HOH905 |
| site_id | BC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL B 807 |
| Chain | Residue |
| B | MET215 |
| B | GLY218 |
| B | SFY806 |
| site_id | BC9 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NAP C 801 |
| Chain | Residue |
| C | GLY11 |
| C | SER13 |
| C | ARG14 |
| C | GLY15 |
| C | PHE16 |
| C | ALA38 |
| C | ARG39 |
| C | ASN40 |
| C | ALA65 |
| C | ASP66 |
| C | LEU67 |
| C | ASN97 |
| C | ALA98 |
| C | LEU123 |
| C | ILE152 |
| C | SER153 |
| C | TYR167 |
| C | LYS171 |
| C | PRO195 |
| C | GLY196 |
| C | PRO197 |
| C | LEU198 |
| C | THR200 |
| C | MET202 |
| C | GLN203 |
| C | SFY804 |
| C | HOH901 |
| C | HOH917 |
| C | HOH931 |
| C | HOH939 |
| C | HOH940 |
| C | HOH955 |
| C | HOH956 |
| site_id | CC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 C 802 |
| Chain | Residue |
| C | ARG39 |
| C | HOH955 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL C 803 |
| Chain | Residue |
| C | GLY196 |
| C | ASP254 |
| C | SFY804 |
| C | HOH902 |
| site_id | CC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE SFY C 804 |
| Chain | Residue |
| C | SER154 |
| C | LEU155 |
| C | CYS156 |
| C | PHE161 |
| C | TRP164 |
| C | TYR167 |
| C | GLY196 |
| C | PRO197 |
| C | GLN203 |
| C | MET215 |
| C | NAP801 |
| C | GOL803 |
| C | PEG805 |
| C | HOH902 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PEG C 805 |
| Chain | Residue |
| C | ASP214 |
| C | MET215 |
| C | SFY804 |
| C | HOH973 |
| site_id | CC5 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE NAP D 801 |
| Chain | Residue |
| D | GLY11 |
| D | SER13 |
| D | ARG14 |
| D | GLY15 |
| D | PHE16 |
| D | ALA38 |
| D | ARG39 |
| D | ASN40 |
| D | ALA65 |
| D | ASP66 |
| D | LEU67 |
| D | ASN97 |
| D | ALA98 |
| D | LEU123 |
| D | ILE152 |
| D | SER153 |
| D | TYR167 |
| D | LYS171 |
| D | PRO195 |
| D | GLY196 |
| D | PRO197 |
| D | LEU198 |
| D | THR200 |
| D | MET202 |
| D | GLN203 |
| D | SFY803 |
| D | HOH904 |
| D | HOH933 |
| D | HOH937 |
| D | HOH938 |
| D | HOH941 |
| D | HOH948 |
| site_id | CC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 D 802 |
| Chain | Residue |
| D | ARG39 |
| D | HOH938 |
| site_id | CC7 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SFY D 803 |
| Chain | Residue |
| D | SER154 |
| D | LEU155 |
| D | CYS156 |
| D | PHE161 |
| D | TRP164 |
| D | TYR167 |
| D | GLY196 |
| D | PRO197 |
| D | GLN203 |
| D | NAP801 |
| D | HOH912 |
| site_id | CC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 804 |
| Chain | Residue |
| B | ARG55 |
| D | ARG45 |
| D | ARG62 |
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 | |
| C | ARG39 | |
| C | ASP66 | |
| C | LEU198 | |
| D | GLY11 | |
| D | ARG39 | |
| D | ASP66 | |
| D | LEU198 | |
| A | ARG39 | |
| A | ASP66 | |
| A | LEU198 | |
| B | GLY11 | |
| B | ARG39 | |
| B | ASP66 | |
| B | LEU198 | |
| C | GLY11 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | SER154 | |
| B | ASP254 | |
| C | SER154 | |
| C | TYR167 | |
| C | LYS171 | |
| C | GLY196 | |
| C | ASP254 | |
| D | SER154 | |
| D | TYR167 | |
| D | LYS171 | |
| D | GLY196 | |
| A | TYR167 | |
| D | 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 | |
| C | MET-2 | |
| D | 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 | |
| C | SER29 | |
| D | 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 | |
| C | SER100 | |
| D | 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 | |
| C | SER210 | |
| D | SER210 |
