5FJH
Crystal structure of human JMJD2C catalytic domain in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino) -2-oxoethyl)amino)methyl)isonicotinic acid
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NI A 1348 |
| Chain | Residue |
| A | HIS190 |
| A | GLU192 |
| A | HIS278 |
| A | MMK1349 |
| A | HOH2178 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NI B 1348 |
| Chain | Residue |
| B | HOH2162 |
| B | HIS190 |
| B | GLU192 |
| B | HIS278 |
| B | MMK1349 |
| site_id | AC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE MMK B 1349 |
| Chain | Residue |
| B | TYR134 |
| B | ASP137 |
| B | TYR179 |
| B | PHE187 |
| B | HIS190 |
| B | GLU192 |
| B | LYS208 |
| B | LYS243 |
| B | HIS278 |
| B | SER290 |
| B | THR291 |
| B | ASN292 |
| B | NI1348 |
| B | HOH2162 |
| B | HOH2255 |
| site_id | AC4 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE MMK A 1349 |
| Chain | Residue |
| A | TYR134 |
| A | ASP137 |
| A | TYR179 |
| A | PHE187 |
| A | HIS190 |
| A | GLU192 |
| A | LYS208 |
| A | TRP210 |
| A | LYS243 |
| A | HIS278 |
| A | SER290 |
| A | THR291 |
| A | ASN292 |
| A | NI1348 |
| A | HOH2178 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 1350 |
| Chain | Residue |
| A | CYS236 |
| A | HIS242 |
| A | CYS308 |
| A | CYS310 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 1350 |
| Chain | Residue |
| B | CYS236 |
| B | HIS242 |
| B | CYS308 |
| B | CYS310 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 1352 |
| Chain | Residue |
| A | HOH2274 |
| A | HOH2275 |
| A | HOH2276 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL B 1351 |
| Chain | Residue |
| A | ARG112 |
| B | TRP183 |
| B | HOH2155 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL A 1351 |
| Chain | Residue |
| A | ASN126 |
| A | TRP183 |
| A | HOH2137 |
| A | HOH2171 |
| B | ARG112 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 84 |
| Details | Domain: {"description":"JmjN","evidences":[{"source":"PROSITE-ProRule","id":"PRU00537","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 332 |
| Details | Domain: {"description":"JmjC","evidences":[{"source":"PROSITE-ProRule","id":"PRU00538","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"B2RXH2","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"21914792","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
