3CTM
Crystal Structure of a Carbonyl Reductase from Candida Parapsilosis with anti-Prelog Stereo-specificity
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003674 | molecular_function | molecular_function |
| A | 0004090 | molecular_function | carbonyl reductase (NADPH) activity |
| A | 0005575 | cellular_component | cellular_component |
| A | 0008150 | biological_process | biological_process |
| A | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| A | 0050664 | molecular_function | oxidoreductase activity, acting on NAD(P)H, oxygen as acceptor |
| B | 0003674 | molecular_function | molecular_function |
| B | 0004090 | molecular_function | carbonyl reductase (NADPH) activity |
| B | 0005575 | cellular_component | cellular_component |
| B | 0008150 | biological_process | biological_process |
| B | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| B | 0050664 | molecular_function | oxidoreductase activity, acting on NAD(P)H, oxygen as acceptor |
| C | 0003674 | molecular_function | molecular_function |
| C | 0004090 | molecular_function | carbonyl reductase (NADPH) activity |
| C | 0005575 | cellular_component | cellular_component |
| C | 0008150 | biological_process | biological_process |
| C | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| C | 0050664 | molecular_function | oxidoreductase activity, acting on NAD(P)H, oxygen as acceptor |
| D | 0003674 | molecular_function | molecular_function |
| D | 0004090 | molecular_function | carbonyl reductase (NADPH) activity |
| D | 0005575 | cellular_component | cellular_component |
| D | 0008150 | biological_process | biological_process |
| D | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| D | 0050664 | molecular_function | oxidoreductase activity, acting on NAD(P)H, oxygen as acceptor |
| E | 0003674 | molecular_function | molecular_function |
| E | 0004090 | molecular_function | carbonyl reductase (NADPH) activity |
| E | 0005575 | cellular_component | cellular_component |
| E | 0008150 | biological_process | biological_process |
| E | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| E | 0050664 | molecular_function | oxidoreductase activity, acting on NAD(P)H, oxygen as acceptor |
| F | 0003674 | molecular_function | molecular_function |
| F | 0004090 | molecular_function | carbonyl reductase (NADPH) activity |
| F | 0005575 | cellular_component | cellular_component |
| F | 0008150 | biological_process | biological_process |
| F | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| F | 0050664 | molecular_function | oxidoreductase activity, acting on NAD(P)H, oxygen as acceptor |
| G | 0003674 | molecular_function | molecular_function |
| G | 0004090 | molecular_function | carbonyl reductase (NADPH) activity |
| G | 0005575 | cellular_component | cellular_component |
| G | 0008150 | biological_process | biological_process |
| G | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| G | 0050664 | molecular_function | oxidoreductase activity, acting on NAD(P)H, oxygen as acceptor |
| H | 0003674 | molecular_function | molecular_function |
| H | 0004090 | molecular_function | carbonyl reductase (NADPH) activity |
| H | 0005575 | cellular_component | cellular_component |
| H | 0008150 | biological_process | biological_process |
| H | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| H | 0050664 | molecular_function | oxidoreductase activity, acting on NAD(P)H, oxygen as acceptor |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | Active site: {"evidences":[{"source":"PubMed","id":"35801308","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"35801308","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Lowers pKa of active site Tyr","evidences":[{"source":"UniProtKB","id":"O93868","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 119 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"35801308","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"7DLM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7DN1","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"35801308","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"7DLM","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| A | TYR187 | |
| A | LYS191 | |
| A | SER171 |
| site_id | CSA10 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| B | TYR187 | |
| B | SER172 | |
| B | ASP144 | |
| B | LYS191 |
| site_id | CSA11 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| C | TYR187 | |
| C | SER172 | |
| C | ASP144 | |
| C | LYS191 |
| site_id | CSA12 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| D | TYR187 | |
| D | SER172 | |
| D | ASP144 | |
| D | LYS191 |
| site_id | CSA13 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| E | TYR187 | |
| E | SER172 | |
| E | ASP144 | |
| E | LYS191 |
| site_id | CSA14 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| F | TYR187 | |
| F | SER172 | |
| F | ASP144 | |
| F | LYS191 |
| site_id | CSA15 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| G | TYR187 | |
| G | SER172 | |
| G | ASP144 | |
| G | LYS191 |
| site_id | CSA16 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| H | TYR187 | |
| H | SER172 | |
| H | ASP144 | |
| H | LYS191 |
| site_id | CSA17 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| A | TYR187 | |
| A | LYS191 |
| site_id | CSA18 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| B | TYR187 | |
| B | LYS191 |
| site_id | CSA19 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| C | TYR187 | |
| C | LYS191 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| B | TYR187 | |
| B | LYS191 | |
| B | SER171 |
| site_id | CSA20 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| D | TYR187 | |
| D | LYS191 |
| site_id | CSA21 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| E | TYR187 | |
| E | LYS191 |
| site_id | CSA22 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| F | TYR187 | |
| F | LYS191 |
| site_id | CSA23 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| G | TYR187 | |
| G | LYS191 |
| site_id | CSA24 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| H | TYR187 | |
| H | LYS191 |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| C | TYR187 | |
| C | LYS191 | |
| C | SER171 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| D | TYR187 | |
| D | LYS191 | |
| D | SER171 |
| site_id | CSA5 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| E | TYR187 | |
| E | LYS191 | |
| E | SER171 |
| site_id | CSA6 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| F | TYR187 | |
| F | LYS191 | |
| F | SER171 |
| site_id | CSA7 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| G | TYR187 | |
| G | LYS191 | |
| G | SER171 |
| site_id | CSA8 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| H | TYR187 | |
| H | LYS191 | |
| H | SER171 |
| site_id | CSA9 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| A | TYR187 | |
| A | SER172 | |
| A | ASP144 | |
| A | LYS191 |
