5ZAI
Crystal structure of 3-Hydroxypropionyl-CoA dehydratase from Metallosphaera sedula
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006635 | biological_process | fatty acid beta-oxidation |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016836 | molecular_function | hydro-lyase activity |
| A | 0043956 | molecular_function | 3-hydroxypropionyl-CoA dehydratase activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006635 | biological_process | fatty acid beta-oxidation |
| B | 0016829 | molecular_function | lyase activity |
| B | 0016836 | molecular_function | hydro-lyase activity |
| B | 0043956 | molecular_function | 3-hydroxypropionyl-CoA dehydratase activity |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0006629 | biological_process | lipid metabolic process |
| C | 0006631 | biological_process | fatty acid metabolic process |
| C | 0006635 | biological_process | fatty acid beta-oxidation |
| C | 0016829 | molecular_function | lyase activity |
| C | 0016836 | molecular_function | hydro-lyase activity |
| C | 0043956 | molecular_function | 3-hydroxypropionyl-CoA dehydratase activity |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0006629 | biological_process | lipid metabolic process |
| D | 0006631 | biological_process | fatty acid metabolic process |
| D | 0006635 | biological_process | fatty acid beta-oxidation |
| D | 0016829 | molecular_function | lyase activity |
| D | 0016836 | molecular_function | hydro-lyase activity |
| D | 0043956 | molecular_function | 3-hydroxypropionyl-CoA dehydratase activity |
| E | 0003824 | molecular_function | catalytic activity |
| E | 0006629 | biological_process | lipid metabolic process |
| E | 0006631 | biological_process | fatty acid metabolic process |
| E | 0006635 | biological_process | fatty acid beta-oxidation |
| E | 0016829 | molecular_function | lyase activity |
| E | 0016836 | molecular_function | hydro-lyase activity |
| E | 0043956 | molecular_function | 3-hydroxypropionyl-CoA dehydratase activity |
| F | 0003824 | molecular_function | catalytic activity |
| F | 0006629 | biological_process | lipid metabolic process |
| F | 0006631 | biological_process | fatty acid metabolic process |
| F | 0006635 | biological_process | fatty acid beta-oxidation |
| F | 0016829 | molecular_function | lyase activity |
| F | 0016836 | molecular_function | hydro-lyase activity |
| F | 0043956 | molecular_function | 3-hydroxypropionyl-CoA dehydratase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 20 |
| Details | binding site for residue COA A 301 |
| Chain | Residue |
| A | ASP23 |
| A | PRO132 |
| A | LEU136 |
| A | HOH403 |
| A | HOH405 |
| A | HOH411 |
| A | HOH420 |
| A | HOH459 |
| A | HOH510 |
| A | HOH535 |
| C | PHE248 |
| A | LYS24 |
| C | LYS251 |
| A | LEU25 |
| A | ALA63 |
| A | ALA65 |
| A | ASP66 |
| A | ILE67 |
| A | PHE70 |
| A | LEU108 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 302 |
| Chain | Residue |
| A | GLU93 |
| A | ASN214 |
| A | HOH463 |
| A | HOH480 |
| A | HOH557 |
| B | LYS154 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 303 |
| Chain | Residue |
| A | ARG21 |
| A | ASP23 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 304 |
| Chain | Residue |
| A | LYS59 |
| A | GLY105 |
| A | TYR106 |
| A | GLU126 |
| A | ALA127 |
| A | GLN128 |
| A | HOH479 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 305 |
| Chain | Residue |
| A | THR74 |
| D | ILE204 |
| D | THR238 |
| D | GLU239 |
| D | HOH474 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 306 |
| Chain | Residue |
| A | LYS9 |
| A | GLU11 |
| A | TRP16 |
| A | THR18 |
| A | THR55 |
| A | GLU188 |
| A | ARG192 |
| A | HOH464 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 307 |
| Chain | Residue |
| A | GLU159 |
| A | MET160 |
| A | ILE167 |
| A | TYR175 |
| C | HOH425 |
| site_id | AC8 |
| Number of Residues | 12 |
| Details | binding site for residue COA B 301 |
| Chain | Residue |
| B | ASP23 |
| B | LYS24 |
| B | LEU25 |
| B | ALA63 |
| B | ALA65 |
| B | ASP66 |
| B | ILE67 |
| B | PHE70 |
| B | TYR106 |
| B | LEU108 |
| B | PRO132 |
| B | ARG166 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 302 |
| Chain | Residue |
| B | GLY105 |
| B | TYR106 |
| B | GLU126 |
| B | ALA127 |
| B | GLN128 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 303 |
| Chain | Residue |
| B | ARG156 |
| B | GLU159 |
| B | ILE167 |
| B | TYR175 |
| site_id | AD2 |
| Number of Residues | 15 |
| Details | binding site for residue COA C 301 |
| Chain | Residue |
| B | PHE248 |
| B | LYS251 |
| C | ASP23 |
| C | LYS24 |
| C | LEU25 |
| C | ALA63 |
| C | GLY64 |
| C | ALA65 |
| C | ASP66 |
| C | ILE67 |
| C | LEU108 |
| C | GLY110 |
| C | PRO132 |
| C | ARG166 |
| C | HOH482 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 302 |
| Chain | Residue |
| C | ARG156 |
| C | GLU159 |
| C | MET160 |
| C | HOH404 |
| site_id | AD4 |
| Number of Residues | 7 |
| Details | binding site for residue GOL C 303 |
| Chain | Residue |
| C | HOH470 |
| A | LYS154 |
| A | HOH509 |
| C | GLU93 |
| C | ARG150 |
| C | ASN214 |
| C | LEU217 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue GOL C 304 |
| Chain | Residue |
| C | SER237 |
| C | THR238 |
| C | GLU239 |
| C | LYS241 |
| C | LYS242 |
| C | HOH444 |
| site_id | AD6 |
| Number of Residues | 8 |
| Details | binding site for residue EDO D 301 |
| Chain | Residue |
| D | GLU113 |
| D | GLU133 |
| D | PRO140 |
| D | GLY141 |
| D | TYR142 |
| D | HOH476 |
| D | HOH504 |
| F | TRP232 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue EDO D 302 |
| Chain | Residue |
| D | ASN13 |
| D | LEU14 |
| D | GLU196 |
| D | ALA199 |
| D | LYS200 |
| D | HOH519 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 303 |
| Chain | Residue |
| D | ARG156 |
| D | GLU159 |
| D | TYR175 |
| site_id | AD9 |
| Number of Residues | 7 |
| Details | binding site for residue GOL D 304 |
| Chain | Residue |
| B | LYS9 |
| D | GLU11 |
| D | TRP16 |
| D | THR18 |
| D | THR55 |
| D | GLU188 |
| D | HOH503 |
| site_id | AE1 |
| Number of Residues | 6 |
| Details | binding site for residue GOL D 305 |
| Chain | Residue |
| D | GLU93 |
| D | ARG147 |
| D | LEU217 |
| D | HOH475 |
| D | HOH482 |
| E | LYS154 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL D 306 |
| Chain | Residue |
| B | GLU11 |
| B | THR18 |
| B | GLU188 |
| B | ARG192 |
| D | LYS9 |
| D | HOH510 |
| site_id | AE3 |
| Number of Residues | 12 |
| Details | binding site for residue COA E 301 |
| Chain | Residue |
| D | PHE248 |
| E | ASP23 |
| E | LYS24 |
| E | LEU25 |
| E | ALA63 |
| E | ALA65 |
| E | ASP66 |
| E | ILE67 |
| E | TYR106 |
| E | PRO132 |
| E | ARG166 |
| E | HOH508 |
| site_id | AE4 |
| Number of Residues | 8 |
| Details | binding site for residue GOL E 302 |
| Chain | Residue |
| D | ASN179 |
| E | ARG156 |
| E | GLU159 |
| E | MET160 |
| E | ASP165 |
| E | ILE167 |
| E | TYR175 |
| E | HOH438 |
| site_id | AE5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO F 301 |
| Chain | Residue |
| F | ARG156 |
| F | GLU159 |
| F | ILE167 |
| F | TYR175 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO F 302 |
| Chain | Residue |
| F | LYS9 |
| F | THR18 |
| F | GLU188 |
| F | HOH492 |
| site_id | AE7 |
| Number of Residues | 7 |
| Details | binding site for residue GOL F 303 |
| Chain | Residue |
| E | GLU93 |
| E | ARG147 |
| E | ASN214 |
| E | HOH418 |
| E | HOH445 |
| F | LYS154 |
| F | HOH424 |
Functional Information from PROSITE/UniProt
| site_id | PS00166 |
| Number of Residues | 21 |
| Details | ENOYL_COA_HYDRATASE Enoyl-CoA hydratase/isomerase signature. IAmINGyalGGGlelaLaCDI |
| Chain | Residue | Details |
| A | ILE100-ILE120 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | Active site: {"description":"Nucleophile","evidences":[{"source":"UniProtKB","id":"Q5LLW6","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"UniProtKB","id":"Q5LLW6","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
