1B6G
HALOALKANE DEHALOGENASE AT PH 5.0 CONTAINING CHLORIDE
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 | 12 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1101 |
| Chain | Residue |
| A | HOH2255 |
| A | HOH2267 |
| A | HOH2422 |
| A | HOH2522 |
| A | HOH2581 |
| A | HOH2606 |
| A | LEU25 |
| A | ASP26 |
| A | ARG112 |
| A | ALA227 |
| A | GLN228 |
| A | HOH2092 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL A 1998 |
| Chain | Residue |
| A | GLU56 |
| A | TRP125 |
| A | TRP175 |
| A | PRO223 |
| A | HOH2197 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL A 1999 |
| Chain | Residue |
| A | ALA195 |
| A | PRO196 |
| A | THR197 |
| A | HOH2012 |
| A | HOH2150 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1201 |
| Chain | Residue |
| A | ALA4 |
| A | ARG6 |
| A | GLY33 |
| A | ASP89 |
| A | HOH2296 |
| A | HOH2298 |
| A | HOH2397 |
| A | HOH2605 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 1202 |
| Chain | Residue |
| A | PRO8 |
| A | ASP9 |
| A | GLN10 |
| A | GLU280 |
| A | HOH2145 |
| A | HOH2158 |
| A | HOH2368 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL A 1203 |
| Chain | Residue |
| A | ARG193 |
| A | PRO196 |
| A | LYS261 |
| A | HOH2062 |
| A | HOH2097 |
| A | HOH2120 |
| A | HOH2334 |
| A | HOH2393 |
| A | HOH2554 |
| A | HOH2564 |
| A | HOH2580 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 1204 |
| Chain | Residue |
| A | ASP93 |
| A | GLU94 |
| A | GLU95 |
| A | HOH2103 |
| A | HOH2325 |
| A | HOH2330 |
| A | HOH2451 |
| A | HOH2608 |
| A | HOH2609 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1205 |
| Chain | Residue |
| A | ARG103 |
| A | MET135 |
| A | GLU239 |
| A | HOH2136 |
| A | HOH2283 |
| A | HOH2339 |
| A | HOH2409 |
| A | HOH2589 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 1206 |
| Chain | Residue |
| A | LYS65 |
| A | GLU293 |
| A | PHE294 |
| A | GLY295 |
| A | GLU296 |
| A | GLN297 |
| A | HOH2349 |
| site_id | ACT |
| Number of Residues | 3 |
| Details | CATALYTIC TRIAD RESIDUES |
| Chain | Residue |
| A | ASP124 |
| A | HIS289 |
| A | ASP260 |
| site_id | BC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1207 |
| Chain | Residue |
| A | GLN10 |
| A | ARG11 |
| A | ASN14 |
| A | THR309 |
| A | HOH2069 |
| A | HOH2214 |
| A | HOH2391 |
| A | HOH2610 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Nucleophile"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton donor"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton acceptor"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| 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_FI5 |
| 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 | a catalytic site defined by CSA, PubMed 10393294 |
| 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 | LEU179 | electrostatic stabiliser |
| A | MET268 | activator, electrostatic stabiliser |
| A | GLN297 | proton shuttle (general acid/base) |
