2WL4
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE H348A MUTANT WITH COENZYME A.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| A | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| A | 0042619 | biological_process | poly-hydroxybutyrate biosynthetic process |
| A | 0044281 | biological_process | small molecule metabolic process |
| B | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| B | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016746 | molecular_function | acyltransferase activity |
| B | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| B | 0042619 | biological_process | poly-hydroxybutyrate biosynthetic process |
| B | 0044281 | biological_process | small molecule metabolic process |
| C | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| C | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016746 | molecular_function | acyltransferase activity |
| C | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| C | 0042619 | biological_process | poly-hydroxybutyrate biosynthetic process |
| C | 0044281 | biological_process | small molecule metabolic process |
| D | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| D | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016746 | molecular_function | acyltransferase activity |
| D | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| D | 0042619 | biological_process | poly-hydroxybutyrate biosynthetic process |
| D | 0044281 | biological_process | small molecule metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1395 |
| Chain | Residue |
| B | SER260 |
| B | ALA262 |
| B | ARG266 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1394 |
| Chain | Residue |
| A | SER260 |
| A | ALA262 |
| A | ARG266 |
| A | HOH2390 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1396 |
| Chain | Residue |
| B | HOH2384 |
| B | HOH2385 |
| B | HOH2386 |
| B | HOH2387 |
| B | ARG302 |
| B | HOH2383 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1395 |
| Chain | Residue |
| A | LYS298 |
| A | GLU301 |
| A | ARG302 |
| A | HOH2393 |
| A | HOH2394 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1396 |
| Chain | Residue |
| A | ARG41 |
| A | HOH2049 |
| A | HOH2395 |
| A | HOH2396 |
| A | HOH2397 |
| A | HOH2398 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1394 |
| Chain | Residue |
| C | VAL57 |
| C | ASN86 |
| C | ASP146 |
| D | PRO59 |
| D | GLY63 |
| D | ASN65 |
| D | PRO66 |
| D | HOH2187 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1397 |
| Chain | Residue |
| B | SER4 |
| B | HOH2392 |
| B | HOH2394 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1397 |
| Chain | Residue |
| A | THR33 |
| A | SER36 |
| A | HOH2046 |
| A | HOH2399 |
| A | HOH2400 |
| A | HOH2401 |
| A | HOH2402 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1395 |
| Chain | Residue |
| D | TRP168 |
| D | HOH2188 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1398 |
| Chain | Residue |
| A | THR224 |
| A | ASP226 |
| A | HOH2404 |
| site_id | BC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1397 |
| Chain | Residue |
| C | HOH3004 |
| site_id | BC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1399 |
| Chain | Residue |
| A | ASP311 |
| A | ARG368 |
| A | ALA370 |
| A | HOH2334 |
| A | HOH2405 |
| A | HOH2406 |
| A | HOH2407 |
| A | HOH2408 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1396 |
| Chain | Residue |
| D | GLU174 |
| D | ALA177 |
| D | PHE178 |
| D | CYS324 |
| site_id | BC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1398 |
| Chain | Residue |
| C | HOH3006 |
| site_id | BC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1403 |
| Chain | Residue |
| A | HOH3007 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1399 |
| Chain | Residue |
| C | ALA243 |
| C | HOH3008 |
| C | HOH3009 |
| C | HOH3010 |
| site_id | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1393 |
| Chain | Residue |
| C | LEU148 |
| C | HIS156 |
| C | SER247 |
| C | GLY248 |
| C | LEU249 |
| site_id | BC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1398 |
| Chain | Residue |
| B | MET100 |
| B | ILE275 |
| B | VAL276 |
| B | SER277 |
| B | HOH2393 |
| B | HOH2394 |
| site_id | CC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1397 |
| Chain | Residue |
| D | ILE35 |
| D | SER36 |
| D | LEU39 |
| D | ALA46 |
| D | VAL49 |
| D | ALA71 |
| D | ALA74 |
| D | GLY75 |
| D | VAL76 |
| site_id | CC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1402 |
| Chain | Residue |
| B | HOH3011 |
| site_id | CC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1403 |
| Chain | Residue |
| B | HOH3012 |
| site_id | CC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1399 |
| Chain | Residue |
| B | ASP226 |
| B | HOH2395 |
| site_id | CC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1400 |
| Chain | Residue |
| A | GLY282 |
| A | VAL283 |
| A | ASP284 |
| A | HOH2409 |
| A | HOH2410 |
| A | HOH2411 |
| A | HOH2412 |
| B | GLN78 |
| B | GLU79 |
| site_id | CC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1401 |
| Chain | Residue |
| A | TRP278 |
| A | ALA279 |
| A | THR280 |
| A | LYS298 |
| A | ARG302 |
| A | HOH2415 |
| B | ASP107 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA D 1398 |
| Chain | Residue |
| D | GLY289 |
| D | ILE293 |
| D | GLN322 |
| D | ALA325 |
| D | VAL326 |
| site_id | CC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL B 1400 |
| Chain | Residue |
| B | LYS185 |
| B | ARG194 |
| B | VAL339 |
| B | ASN340 |
| site_id | CC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA C 1394 |
| Chain | Residue |
| C | GLN56 |
| C | LEU58 |
| C | GLU117 |
| C | SER118 |
| C | HOH2027 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA C 1395 |
| Chain | Residue |
| C | VAL34 |
| C | ILE35 |
| C | VAL38 |
| C | VAL112 |
| C | ALA255 |
| site_id | DC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CL C 1396 |
| Chain | Residue |
| C | ASN65 |
| C | ARG68 |
| C | HOH2032 |
| C | HOH2033 |
| D | GLY380 |
| D | MET383 |
| site_id | DC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL D 1399 |
| Chain | Residue |
| C | CYS125 |
| D | PRO123 |
| D | HIS124 |
| D | CYS125 |
| D | THR142 |
| site_id | DC4 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE COA A 1402 |
| Chain | Residue |
| A | CYS89 |
| A | LEU148 |
| A | HIS156 |
| A | MET157 |
| A | ARG220 |
| A | SER227 |
| A | MET228 |
| A | LEU231 |
| A | ALA243 |
| A | GLY244 |
| A | SER247 |
| A | LEU249 |
| A | MET288 |
| A | PHE319 |
| A | CSD378 |
| A | HOH2216 |
| A | HOH2268 |
| A | HOH2289 |
| A | HOH2416 |
| A | HOH2417 |
| A | HOH2418 |
| A | HOH2419 |
| A | HOH2420 |
| A | HOH2421 |
| A | HOH2422 |
| A | HOH2423 |
| D | MET134 |
| site_id | DC5 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE COA B 1401 |
| Chain | Residue |
| B | CSO89 |
| B | HIS156 |
| B | MET157 |
| B | ARG220 |
| B | SER227 |
| B | MET228 |
| B | LEU231 |
| B | ALA243 |
| B | GLY244 |
| B | SER247 |
| B | LEU249 |
| B | MET288 |
| B | ALA318 |
| B | PHE319 |
| B | CSD378 |
| B | HOH2172 |
| B | HOH2290 |
| B | HOH2291 |
| B | HOH2376 |
| B | HOH2396 |
| B | HOH2397 |
| B | HOH2398 |
| B | HOH2399 |
| B | HOH2400 |
| B | HOH2401 |
| B | HOH2402 |
| B | HOH2403 |
| B | HOH2404 |
| B | HOH2405 |
| C | MET134 |
Functional Information from PROSITE/UniProt
| site_id | PS00098 |
| Number of Residues | 19 |
| Details | THIOLASE_1 Thiolases acyl-enzyme intermediate signature. MNQlCGSGLrAValgmqqI |
| Chain | Residue | Details |
| C | MET85-ILE103 | |
| A | MET85-ILE103 | |
| B | MET85-ILE103 | |
| D | MET85-ILE103 |
| site_id | PS00099 |
| Number of Residues | 14 |
| Details | THIOLASE_3 Thiolases active site. GLATLCIGgGmGvA |
| Chain | Residue | Details |
| C | GLY373-ALA386 | |
| A | GLY373-ALA386 | |
| B | GLY373-ALA386 | |
| D | GLY373-ALA386 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Acyl-thioester intermediate"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Proton acceptor"} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qfl |
| Chain | Residue | Details |
| C | ALA348 | |
| C | CYS378 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qfl |
| Chain | Residue | Details |
| D | ALA348 | |
| D | CYS378 |
