1CIJ
HALOALKANE DEHALOGENASE SOAKED WITH HIGH CONCENTRATION OF BROMIDE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004301 | molecular_function | epoxide hydrolase activity |
| A | 0009636 | biological_process | response to toxic substance |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0018786 | molecular_function | haloalkane dehalogenase activity |
| A | 0019260 | biological_process | 1,2-dichloroethane catabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BR A 401 |
| Chain | Residue |
| A | TRP125 |
| A | TRP175 |
| A | PRO223 |
| A | HOH611 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BR A 402 |
| Chain | Residue |
| A | THR197 |
| A | ALA195 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BR A 403 |
| Chain | Residue |
| A | LEU185 |
| A | LEU187 |
| A | GLN216 |
| site_id | BR1 |
| Number of Residues | 2 |
| Details | PRIMARY BROMIDE BINDING SITE IN ACTIVE SITE CAVITY |
| Chain | Residue |
| A | TRP125 |
| A | TRP175 |
| site_id | BR2 |
| Number of Residues | 2 |
| Details | LOCATION OF COLLISION COMPLEX IN HALIDE IMPORT |
| Chain | Residue |
| A | THR197 |
| A | PHE294 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 246 |
| Details | Domain: {"description":"AB hydrolase-1","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Nucleophile"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton donor"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton acceptor"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10393294","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8515812","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10393294","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8515812","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2DHD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2DHE","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1b6g |
| Chain | Residue | Details |
| A | HIS289 | |
| A | ASP124 | |
| A | ASP260 |
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 415 |
| Chain | Residue | Details |
| A | ASP124 | covalent catalysis |
| A | TRP125 | electrostatic stabiliser |
| A | TRP175 | electrostatic stabiliser |
| A | ASP260 | activator, electrostatic stabiliser |
| A | HIS289 | proton shuttle (general acid/base) |
