3WG6
Crystal structure of conjugated polyketone reductase C1 from Candida parapsilosis complexed with NADPH
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004032 | molecular_function | aldose reductase (NADPH) activity |
A | 0005575 | cellular_component | cellular_component |
A | 0005829 | cellular_component | cytosol |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
A | 0016652 | molecular_function | oxidoreductase activity, acting on NAD(P)H, NAD(P) as acceptor |
A | 0036441 | molecular_function | 2-dehydropantolactone reductase activity |
A | 0042180 | biological_process | cellular ketone metabolic process |
A | 0047011 | molecular_function | 2-dehydropantolactone reductase (A-specific) activity |
B | 0004032 | molecular_function | aldose reductase (NADPH) activity |
B | 0005575 | cellular_component | cellular_component |
B | 0005829 | cellular_component | cytosol |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
B | 0016652 | molecular_function | oxidoreductase activity, acting on NAD(P)H, NAD(P) as acceptor |
B | 0036441 | molecular_function | 2-dehydropantolactone reductase activity |
B | 0042180 | biological_process | cellular ketone metabolic process |
B | 0047011 | molecular_function | 2-dehydropantolactone reductase (A-specific) activity |
C | 0004032 | molecular_function | aldose reductase (NADPH) activity |
C | 0005575 | cellular_component | cellular_component |
C | 0005829 | cellular_component | cytosol |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
C | 0016652 | molecular_function | oxidoreductase activity, acting on NAD(P)H, NAD(P) as acceptor |
C | 0036441 | molecular_function | 2-dehydropantolactone reductase activity |
C | 0042180 | biological_process | cellular ketone metabolic process |
C | 0047011 | molecular_function | 2-dehydropantolactone reductase (A-specific) activity |
D | 0004032 | molecular_function | aldose reductase (NADPH) activity |
D | 0005575 | cellular_component | cellular_component |
D | 0005829 | cellular_component | cytosol |
D | 0016491 | molecular_function | oxidoreductase activity |
D | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
D | 0016652 | molecular_function | oxidoreductase activity, acting on NAD(P)H, NAD(P) as acceptor |
D | 0036441 | molecular_function | 2-dehydropantolactone reductase activity |
D | 0042180 | biological_process | cellular ketone metabolic process |
D | 0047011 | molecular_function | 2-dehydropantolactone reductase (A-specific) activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 30 |
Details | BINDING SITE FOR RESIDUE NDP A 3001 |
Chain | Residue |
A | GLY22 |
A | SER160 |
A | ASN161 |
A | GLN183 |
A | TYR211 |
A | GLY212 |
A | PRO213 |
A | LEU214 |
A | THR218 |
A | ILE256 |
A | THR257 |
A | THR23 |
A | THR258 |
A | THR259 |
A | SER260 |
A | LYS261 |
A | ARG264 |
A | PHE296 |
A | HOH3112 |
A | HOH3159 |
A | HOH3188 |
A | HOH3191 |
A | GLY24 |
A | HOH3195 |
A | THR25 |
A | LYS26 |
A | ASP55 |
A | TYR60 |
A | LYS85 |
A | HIS125 |
site_id | AC2 |
Number of Residues | 28 |
Details | BINDING SITE FOR RESIDUE NDP B 3001 |
Chain | Residue |
B | GLY22 |
B | THR23 |
B | GLY24 |
B | THR25 |
B | LYS26 |
B | ASP55 |
B | TYR60 |
B | HIS125 |
B | SER160 |
B | ASN161 |
B | GLN183 |
B | TYR211 |
B | GLY212 |
B | PRO213 |
B | LEU214 |
B | ILE217 |
B | THR218 |
B | ILE256 |
B | THR257 |
B | THR258 |
B | THR259 |
B | SER260 |
B | LYS261 |
B | ARG264 |
B | PHE296 |
B | HOH3129 |
B | HOH3133 |
B | HOH3147 |
site_id | AC3 |
Number of Residues | 29 |
Details | BINDING SITE FOR RESIDUE NDP C 3001 |
Chain | Residue |
C | GLY22 |
C | THR23 |
C | GLY24 |
C | THR25 |
C | LYS26 |
C | ASP55 |
C | TYR60 |
C | HIS125 |
C | SER160 |
C | ASN161 |
C | GLN183 |
C | TYR211 |
C | GLY212 |
C | PRO213 |
C | LEU214 |
C | ILE217 |
C | THR218 |
C | ILE256 |
C | THR257 |
C | THR258 |
C | THR259 |
C | SER260 |
C | LYS261 |
C | ARG264 |
C | HOH3104 |
C | HOH3136 |
C | HOH3168 |
C | HOH3184 |
C | HOH3195 |
site_id | AC4 |
Number of Residues | 30 |
Details | BINDING SITE FOR RESIDUE NDP D 3001 |
Chain | Residue |
D | TYR211 |
D | GLY212 |
D | PRO213 |
D | LEU214 |
D | ILE217 |
D | THR218 |
D | ILE256 |
D | THR257 |
D | THR258 |
D | THR259 |
D | SER260 |
D | LYS261 |
D | ARG264 |
D | PHE296 |
D | HOH3113 |
D | HOH3137 |
D | HOH3144 |
D | HOH3165 |
D | GLY22 |
D | THR23 |
D | GLY24 |
D | THR25 |
D | LYS26 |
D | ASP55 |
D | TYR60 |
D | LYS85 |
D | HIS125 |
D | SER160 |
D | ASN161 |
D | GLN183 |
Functional Information from PROSITE/UniProt
site_id | PS00062 |
Number of Residues | 18 |
Details | ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. LerakneglARNIGVSNF |
Chain | Residue | Details |
A | LEU145-PHE162 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 8 |
Details | ACT_SITE: Proton donor => ECO:0000250|UniProtKB:Q76L36 |
Chain | Residue | Details |
C | TYR60 | |
C | HIS125 | |
D | TYR60 | |
D | HIS125 | |
A | HIS125 | |
B | TYR60 | |
B | HIS125 | |
A | TYR60 |
site_id | SWS_FT_FI2 |
Number of Residues | 48 |
Details | BINDING: BINDING => ECO:0000269|PubMed:23852710, ECO:0007744|PDB:3WG6 |
Chain | Residue | Details |
A | THR259 | |
A | SER260 | |
A | LYS261 | |
A | ARG264 | |
B | THR23 | |
B | GLY24 | |
B | THR25 | |
B | LYS26 | |
B | ASP55 | |
B | SER160 | |
B | GLN183 | |
B | LEU214 | |
B | THR259 | |
B | SER260 | |
B | LYS261 | |
B | ARG264 | |
C | THR23 | |
C | GLY24 | |
C | THR25 | |
C | LYS26 | |
C | ASP55 | |
C | SER160 | |
C | GLN183 | |
C | LEU214 | |
C | THR259 | |
C | SER260 | |
C | LYS261 | |
C | ARG264 | |
D | THR23 | |
D | GLY24 | |
D | THR25 | |
D | LYS26 | |
D | ASP55 | |
D | SER160 | |
D | GLN183 | |
D | LEU214 | |
D | THR259 | |
D | SER260 | |
D | LYS261 | |
D | ARG264 | |
A | ASP55 | |
A | SER160 | |
A | GLN183 | |
A | LEU214 | |
A | THR23 | |
A | GLY24 | |
A | THR25 | |
A | LYS26 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | SITE: Lowers pKa of active site Tyr => ECO:0000250|UniProtKB:Q76L36 |
Chain | Residue | Details |
A | LYS85 | |
B | LYS85 | |
C | LYS85 | |
D | LYS85 |