2ZI8
Crystal structure of the HsaC extradiol dioxygenase from M. tuberculosis in complex with 3,4-dihydroxy-9,10-seconandrost-1,3,5(10)-triene-9,17-dione (DHSA)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006707 | biological_process | cholesterol catabolic process |
| A | 0008198 | molecular_function | ferrous iron binding |
| A | 0008202 | biological_process | steroid metabolic process |
| A | 0008203 | biological_process | cholesterol metabolic process |
| A | 0016042 | biological_process | lipid catabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0047071 | molecular_function | 3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 4,5-dioxygenase activity |
| A | 0051213 | molecular_function | dioxygenase activity |
| A | 0070723 | biological_process | response to cholesterol |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006707 | biological_process | cholesterol catabolic process |
| B | 0008198 | molecular_function | ferrous iron binding |
| B | 0008202 | biological_process | steroid metabolic process |
| B | 0008203 | biological_process | cholesterol metabolic process |
| B | 0016042 | biological_process | lipid catabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0047071 | molecular_function | 3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 4,5-dioxygenase activity |
| B | 0051213 | molecular_function | dioxygenase activity |
| B | 0070723 | biological_process | response to cholesterol |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 A 701 |
| Chain | Residue |
| A | HIS145 |
| A | HIS215 |
| A | TYR256 |
| A | GLU266 |
| A | SDT702 |
| A | HOH839 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 B 701 |
| Chain | Residue |
| B | SDT702 |
| B | HOH887 |
| B | HOH944 |
| B | HIS145 |
| B | HIS215 |
| B | GLU266 |
| site_id | AC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE SDT A 702 |
| Chain | Residue |
| A | HIS145 |
| A | MET172 |
| A | HIS200 |
| A | VAL214 |
| A | HIS215 |
| A | HIS247 |
| A | ASN249 |
| A | ASP250 |
| A | TYR256 |
| A | GLU266 |
| A | VAL287 |
| A | FE2701 |
| A | HOH736 |
| A | HOH839 |
| A | HOH842 |
| site_id | AC4 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE SDT B 702 |
| Chain | Residue |
| B | MET172 |
| B | PHE192 |
| B | HIS200 |
| B | VAL214 |
| B | HIS215 |
| B | HIS247 |
| B | ASN249 |
| B | ASP250 |
| B | TYR256 |
| B | VAL287 |
| B | FE2701 |
| B | HOH783 |
| B | HOH808 |
| B | HOH887 |
| B | HOH921 |
| B | HOH943 |
| B | HOH944 |
Functional Information from PROSITE/UniProt
| site_id | PS00082 |
| Number of Residues | 22 |
| Details | EXTRADIOL_DIOXYGENAS Extradiol ring-cleavage dioxygenases signature. GrHvndlmlsFYmkTPgGfdiE |
| Chain | Residue | Details |
| A | GLY245-GLU266 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 230 |
| Details | Domain: {"description":"VOC 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU01163","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 256 |
| Details | Domain: {"description":"VOC 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU01163","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"19300498","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1mpy |
| Chain | Residue | Details |
| A | HIS200 | |
| A | TYR256 | |
| A | HIS247 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1mpy |
| Chain | Residue | Details |
| B | HIS200 | |
| B | TYR256 | |
| B | HIS247 |
