6ESQ
Structure of the acetoacetyl-CoA thiolase/HMG-CoA synthase complex from Methanothermococcus thermolithotrophicus soaked with acetyl-CoA
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| A | 0008299 | biological_process | isoprenoid biosynthetic process |
| 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 |
| B | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| B | 0008299 | biological_process | isoprenoid biosynthetic process |
| 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 |
| C | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| C | 0008299 | biological_process | isoprenoid biosynthetic process |
| 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 |
| D | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| D | 0008299 | biological_process | isoprenoid biosynthetic process |
| 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 |
| E | 0046872 | molecular_function | metal ion binding |
| F | 0046872 | molecular_function | metal ion binding |
| G | 0046872 | molecular_function | metal ion binding |
| H | 0046872 | molecular_function | metal ion binding |
| I | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| I | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
| I | 0006084 | biological_process | acetyl-CoA metabolic process |
| I | 0008299 | biological_process | isoprenoid biosynthetic process |
| I | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
| I | 0016740 | molecular_function | transferase activity |
| I | 0016746 | molecular_function | acyltransferase activity |
| I | 0019287 | biological_process | isopentenyl diphosphate biosynthetic process, mevalonate pathway |
| J | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| J | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
| J | 0006084 | biological_process | acetyl-CoA metabolic process |
| J | 0008299 | biological_process | isoprenoid biosynthetic process |
| J | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
| J | 0016740 | molecular_function | transferase activity |
| J | 0016746 | molecular_function | acyltransferase activity |
| J | 0019287 | biological_process | isopentenyl diphosphate biosynthetic process, mevalonate pathway |
| K | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| K | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
| K | 0006084 | biological_process | acetyl-CoA metabolic process |
| K | 0008299 | biological_process | isoprenoid biosynthetic process |
| K | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
| K | 0016740 | molecular_function | transferase activity |
| K | 0016746 | molecular_function | acyltransferase activity |
| K | 0019287 | biological_process | isopentenyl diphosphate biosynthetic process, mevalonate pathway |
| L | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| L | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
| L | 0006084 | biological_process | acetyl-CoA metabolic process |
| L | 0008299 | biological_process | isoprenoid biosynthetic process |
| L | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
| L | 0016740 | molecular_function | transferase activity |
| L | 0016746 | molecular_function | acyltransferase activity |
| L | 0019287 | biological_process | isopentenyl diphosphate biosynthetic process, mevalonate pathway |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | binding site for residue COA A 401 |
| Chain | Residue |
| A | PHE182 |
| A | LEU203 |
| A | CYS206 |
| A | PRO208 |
| A | LYS332 |
| J | ARG203 |
| J | LYS243 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue COA B 401 |
| Chain | Residue |
| B | CYS206 |
| B | SER207 |
| B | PRO208 |
| B | LYS332 |
| L | ARG203 |
| B | PHE182 |
| B | LEU203 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue K B 402 |
| Chain | Residue |
| B | ASP36 |
| B | ASP356 |
| D | GLU232 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue K B 403 |
| Chain | Residue |
| B | ASP3 |
| B | ARG392 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | binding site for residue COA C 401 |
| Chain | Residue |
| C | PHE182 |
| C | LEU203 |
| C | MET204 |
| C | CYS206 |
| C | SER207 |
| C | PRO208 |
| C | VAL209 |
| C | LYS332 |
| I | ARG203 |
| I | LYS243 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | binding site for residue COA D 401 |
| Chain | Residue |
| D | THR122 |
| D | PHE182 |
| D | VAL197 |
| D | LEU203 |
| D | CYS206 |
| D | SER207 |
| D | PRO208 |
| D | LYS332 |
| K | ARG203 |
| K | LYS243 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue ZN E 201 |
| Chain | Residue |
| E | CYS20 |
| E | CYS23 |
| E | CYS34 |
| E | CYS37 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue CL E 202 |
| Chain | Residue |
| B | GLY41 |
| E | ARG38 |
| E | ARG39 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue ZN F 201 |
| Chain | Residue |
| F | CYS20 |
| F | CYS23 |
| F | CYS34 |
| F | CYS37 |
| site_id | AD1 |
| Number of Residues | 3 |
| Details | binding site for residue CL F 202 |
| Chain | Residue |
| C | GLY41 |
| F | ARG38 |
| F | ARG39 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN G 201 |
| Chain | Residue |
| G | CYS20 |
| G | CYS23 |
| G | CYS34 |
| G | CYS37 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue CL G 202 |
| Chain | Residue |
| D | GLY41 |
| G | ARG38 |
| G | ARG39 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue ZN H 201 |
| Chain | Residue |
| H | CYS20 |
| H | CYS23 |
| H | CYS34 |
| H | CYS37 |
| site_id | AD5 |
| Number of Residues | 2 |
| Details | binding site for residue K I 401 |
| Chain | Residue |
| I | GLU111 |
| K | GLU111 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue NA K 401 |
| Chain | Residue |
| I | VAL88 |
| K | GLU111 |
| K | PHE112 |
| K | ALA113 |
| site_id | AD7 |
| Number of Residues | 2 |
| Details | binding site for residue K L 401 |
| Chain | Residue |
| J | GLU111 |
| L | GLU111 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Acyl-thioester intermediate","evidences":[{"source":"UniProtKB","id":"P14611","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"UniProtKB","id":"P14611","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 24 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"29531083","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6ESQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 16 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"29531083","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6ESQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ET9","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_01409","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Acyl-thioester intermediate","evidences":[{"source":"HAMAP-Rule","id":"MF_01409","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 28 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01409","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
