2IBY
Crystallographic and kinetic studies of human mitochondrial acetoacetyl-CoA thiolase (T2): the importance of potassium and chloride for its structure and function
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0001889 | biological_process | liver development |
| A | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005759 | cellular_component | mitochondrial matrix |
| A | 0005783 | cellular_component | endoplasmic reticulum |
| A | 0006085 | biological_process | acetyl-CoA biosynthetic process |
| A | 0006550 | biological_process | L-isoleucine catabolic process |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006635 | biological_process | fatty acid beta-oxidation |
| A | 0009725 | biological_process | response to hormone |
| A | 0015936 | biological_process | coenzyme A metabolic process |
| A | 0015937 | biological_process | coenzyme A biosynthetic process |
| A | 0016453 | molecular_function | C-acetyltransferase activity |
| 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 | 0019899 | molecular_function | enzyme binding |
| A | 0030955 | molecular_function | potassium ion binding |
| A | 0034736 | molecular_function | cholesterol O-acyltransferase activity |
| A | 0042594 | biological_process | response to starvation |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0046356 | biological_process | acetyl-CoA catabolic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0046952 | biological_process | ketone body catabolic process |
| A | 0060612 | biological_process | adipose tissue development |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 0072229 | biological_process | metanephric proximal convoluted tubule development |
| A | 0120225 | molecular_function | coenzyme A binding |
| A | 1902224 | biological_process | ketone body metabolic process |
| A | 1902860 | biological_process | propionyl-CoA biosynthetic process |
| B | 0001889 | biological_process | liver development |
| B | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005759 | cellular_component | mitochondrial matrix |
| B | 0005783 | cellular_component | endoplasmic reticulum |
| B | 0006085 | biological_process | acetyl-CoA biosynthetic process |
| B | 0006550 | biological_process | L-isoleucine catabolic process |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006635 | biological_process | fatty acid beta-oxidation |
| B | 0009725 | biological_process | response to hormone |
| B | 0015936 | biological_process | coenzyme A metabolic process |
| B | 0015937 | biological_process | coenzyme A biosynthetic process |
| B | 0016453 | molecular_function | C-acetyltransferase activity |
| 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 | 0019899 | molecular_function | enzyme binding |
| B | 0030955 | molecular_function | potassium ion binding |
| B | 0034736 | molecular_function | cholesterol O-acyltransferase activity |
| B | 0042594 | biological_process | response to starvation |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0046356 | biological_process | acetyl-CoA catabolic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0046952 | biological_process | ketone body catabolic process |
| B | 0060612 | biological_process | adipose tissue development |
| B | 0070062 | cellular_component | extracellular exosome |
| B | 0072229 | biological_process | metanephric proximal convoluted tubule development |
| B | 0120225 | molecular_function | coenzyme A binding |
| B | 1902224 | biological_process | ketone body metabolic process |
| B | 1902860 | biological_process | propionyl-CoA biosynthetic process |
| C | 0001889 | biological_process | liver development |
| C | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0005759 | cellular_component | mitochondrial matrix |
| C | 0005783 | cellular_component | endoplasmic reticulum |
| C | 0006085 | biological_process | acetyl-CoA biosynthetic process |
| C | 0006550 | biological_process | L-isoleucine catabolic process |
| C | 0006629 | biological_process | lipid metabolic process |
| C | 0006631 | biological_process | fatty acid metabolic process |
| C | 0006635 | biological_process | fatty acid beta-oxidation |
| C | 0009725 | biological_process | response to hormone |
| C | 0015936 | biological_process | coenzyme A metabolic process |
| C | 0015937 | biological_process | coenzyme A biosynthetic process |
| C | 0016453 | molecular_function | C-acetyltransferase activity |
| 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 | 0019899 | molecular_function | enzyme binding |
| C | 0030955 | molecular_function | potassium ion binding |
| C | 0034736 | molecular_function | cholesterol O-acyltransferase activity |
| C | 0042594 | biological_process | response to starvation |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0046356 | biological_process | acetyl-CoA catabolic process |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0046952 | biological_process | ketone body catabolic process |
| C | 0060612 | biological_process | adipose tissue development |
| C | 0070062 | cellular_component | extracellular exosome |
| C | 0072229 | biological_process | metanephric proximal convoluted tubule development |
| C | 0120225 | molecular_function | coenzyme A binding |
| C | 1902224 | biological_process | ketone body metabolic process |
| C | 1902860 | biological_process | propionyl-CoA biosynthetic process |
| D | 0001889 | biological_process | liver development |
| D | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| D | 0005739 | cellular_component | mitochondrion |
| D | 0005759 | cellular_component | mitochondrial matrix |
| D | 0005783 | cellular_component | endoplasmic reticulum |
| D | 0006085 | biological_process | acetyl-CoA biosynthetic process |
| D | 0006550 | biological_process | L-isoleucine catabolic process |
| D | 0006629 | biological_process | lipid metabolic process |
| D | 0006631 | biological_process | fatty acid metabolic process |
| D | 0006635 | biological_process | fatty acid beta-oxidation |
| D | 0009725 | biological_process | response to hormone |
| D | 0015936 | biological_process | coenzyme A metabolic process |
| D | 0015937 | biological_process | coenzyme A biosynthetic process |
| D | 0016453 | molecular_function | C-acetyltransferase activity |
| 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 | 0019899 | molecular_function | enzyme binding |
| D | 0030955 | molecular_function | potassium ion binding |
| D | 0034736 | molecular_function | cholesterol O-acyltransferase activity |
| D | 0042594 | biological_process | response to starvation |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0046356 | biological_process | acetyl-CoA catabolic process |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0046952 | biological_process | ketone body catabolic process |
| D | 0060612 | biological_process | adipose tissue development |
| D | 0070062 | cellular_component | extracellular exosome |
| D | 0072229 | biological_process | metanephric proximal convoluted tubule development |
| D | 0120225 | molecular_function | coenzyme A binding |
| D | 1902224 | biological_process | ketone body metabolic process |
| D | 1902860 | biological_process | propionyl-CoA biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL B 2001 |
| Chain | Residue |
| B | CYS119 |
| site_id | AC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL A 2002 |
| Chain | Residue |
| A | CYS119 |
| site_id | AC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL D 2003 |
| Chain | Residue |
| D | CYS119 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL C 2004 |
| Chain | Residue |
| C | CYS119 |
| D | HOH6155 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K A 3001 |
| Chain | Residue |
| A | VAL381 |
| A | HOH6143 |
| A | TYR219 |
| A | ALA280 |
| A | ALA281 |
| A | ALA283 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE K B 3002 |
| Chain | Residue |
| B | TYR219 |
| B | ALA280 |
| B | ALA281 |
| B | ALA283 |
| B | THR285 |
| B | VAL381 |
| B | HOH6051 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K C 3003 |
| Chain | Residue |
| C | TYR219 |
| C | ALA280 |
| C | ALA281 |
| C | ALA283 |
| C | VAL381 |
| C | HOH6070 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K D 3004 |
| Chain | Residue |
| D | TYR219 |
| D | ALA280 |
| D | ALA281 |
| D | ALA283 |
| D | VAL381 |
| D | HOH6044 |
| site_id | AC9 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE COA A 6001 |
| Chain | Residue |
| A | LEU184 |
| A | HIS192 |
| A | TYR219 |
| A | ARG258 |
| A | VAL259 |
| A | ASP260 |
| A | LYS263 |
| A | LEU267 |
| A | VAL270 |
| A | ALA280 |
| A | ALA281 |
| A | SER284 |
| A | ALA355 |
| A | PHE356 |
| A | MES5001 |
| A | HOH6080 |
| A | HOH6143 |
| A | HOH6205 |
| A | HOH6243 |
| C | HOH6018 |
| site_id | BC1 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE COA B 6002 |
| Chain | Residue |
| B | LEU184 |
| B | HIS192 |
| B | TYR219 |
| B | ARG258 |
| B | VAL259 |
| B | ASP260 |
| B | LYS263 |
| B | LEU267 |
| B | ALA280 |
| B | ALA281 |
| B | SER284 |
| B | ALA355 |
| B | PHE356 |
| B | HOH6051 |
| B | HOH6055 |
| B | HOH6317 |
| B | HOH6361 |
| D | HOH6022 |
| site_id | BC2 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE COA C 6003 |
| Chain | Residue |
| A | HOH6214 |
| C | LEU184 |
| C | HIS192 |
| C | TYR219 |
| C | ARG258 |
| C | VAL259 |
| C | ASP260 |
| C | LYS263 |
| C | LEU267 |
| C | SER284 |
| C | ALA355 |
| C | PHE356 |
| C | HOH6014 |
| C | HOH6070 |
| C | HOH6134 |
| site_id | BC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE COA D 6004 |
| Chain | Residue |
| B | HOH6177 |
| D | CSO126 |
| D | LEU184 |
| D | HIS192 |
| D | TYR219 |
| D | ARG258 |
| D | VAL259 |
| D | ASP260 |
| D | LYS263 |
| D | LEU267 |
| D | ALA280 |
| D | SER284 |
| D | PHE356 |
| D | HOH6044 |
| D | HOH6053 |
| site_id | BC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE MES A 5001 |
| Chain | Residue |
| A | LEU56 |
| A | LEU286 |
| A | COA6001 |
| A | HOH6061 |
| A | HOH6388 |
| C | TYR170 |
| C | HOH6030 |
| A | PHE55 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 4001 |
| Chain | Residue |
| A | ALA201 |
| A | ASN205 |
| A | ILE206 |
| A | THR277 |
| A | HOH6142 |
| A | HOH6160 |
| A | HOH6191 |
| site_id | BC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL B 4002 |
| Chain | Residue |
| B | GLU321 |
| B | HOH6167 |
| B | HOH6172 |
Functional Information from PROSITE/UniProt
| site_id | PS00098 |
| Number of Residues | 19 |
| Details | THIOLASE_1 Thiolases acyl-enzyme intermediate signature. INKvCASGMkAImmasqsL |
| Chain | Residue | Details |
| A | ILE122-LEU140 |
| site_id | PS00099 |
| Number of Residues | 14 |
| Details | THIOLASE_3 Thiolases active site. GLASICNGgGgAsA |
| Chain | Residue | Details |
| A | GLY408-ALA421 |
| site_id | PS00737 |
| Number of Residues | 17 |
| Details | THIOLASE_2 Thiolases signature 2. NinGGaVSlGHPiGmSG |
| Chain | Residue | Details |
| A | ASN375-GLY391 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000305|PubMed:17371050 |
| Chain | Residue | Details |
| A | CSO126 | |
| B | CSO126 | |
| C | CSO126 | |
| D | CSO126 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton donor/acceptor => ECO:0000305|PubMed:17371050 |
| Chain | Residue | Details |
| A | CYS413 | |
| B | CYS413 | |
| C | CYS413 | |
| D | CYS413 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 32 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:17371050 |
| Chain | Residue | Details |
| A | TYR219 | |
| B | ARG258 | |
| B | LYS263 | |
| B | ALA280 | |
| B | ALA281 | |
| B | ALA283 | |
| B | SER284 | |
| B | VAL381 | |
| C | TYR219 | |
| C | ARG258 | |
| C | LYS263 | |
| A | ARG258 | |
| C | ALA280 | |
| C | ALA281 | |
| C | ALA283 | |
| C | SER284 | |
| C | VAL381 | |
| D | TYR219 | |
| D | ARG258 | |
| D | LYS263 | |
| D | ALA280 | |
| D | ALA281 | |
| A | LYS263 | |
| D | ALA283 | |
| D | SER284 | |
| D | VAL381 | |
| A | ALA280 | |
| A | ALA281 | |
| A | ALA283 | |
| A | SER284 | |
| A | VAL381 | |
| B | TYR219 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | SITE: Increases nucleophilicity of active site Cys => ECO:0000305|PubMed:17371050 |
| Chain | Residue | Details |
| A | HIS385 | |
| B | HIS385 | |
| C | HIS385 | |
| D | HIS385 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 32 |
| Details | MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:Q8QZT1 |
| Chain | Residue | Details |
| A | LYS66 | |
| B | LYS174 | |
| B | LYS181 | |
| B | LYS190 | |
| B | LYS202 | |
| B | LYS223 | |
| B | LYS230 | |
| B | LYS263 | |
| C | LYS66 | |
| C | LYS174 | |
| C | LYS181 | |
| A | LYS174 | |
| C | LYS190 | |
| C | LYS202 | |
| C | LYS223 | |
| C | LYS230 | |
| C | LYS263 | |
| D | LYS66 | |
| D | LYS174 | |
| D | LYS181 | |
| D | LYS190 | |
| D | LYS202 | |
| A | LYS181 | |
| D | LYS223 | |
| D | LYS230 | |
| D | LYS263 | |
| A | LYS190 | |
| A | LYS202 | |
| A | LYS223 | |
| A | LYS230 | |
| A | LYS263 | |
| B | LYS66 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 16 |
| Details | MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q8QZT1 |
| Chain | Residue | Details |
| A | LYS78 | |
| C | LYS243 | |
| C | LYS266 | |
| C | LYS268 | |
| D | LYS78 | |
| D | LYS243 | |
| D | LYS266 | |
| D | LYS268 | |
| A | LYS243 | |
| A | LYS266 | |
| A | LYS268 | |
| B | LYS78 | |
| B | LYS243 | |
| B | LYS266 | |
| B | LYS268 | |
| C | LYS78 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS251 | |
| B | LYS251 | |
| C | LYS251 | |
| D | LYS251 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 12 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q8QZT1 |
| Chain | Residue | Details |
| A | LYS257 | |
| D | LYS257 | |
| D | LYS273 | |
| D | LYS338 | |
| A | LYS273 | |
| A | LYS338 | |
| B | LYS257 | |
| B | LYS273 | |
| B | LYS338 | |
| C | LYS257 | |
| C | LYS273 | |
| C | LYS338 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1afw |
| Chain | Residue | Details |
| A | GLY415 | |
| A | HIS385 | |
| A | CYS413 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1afw |
| Chain | Residue | Details |
| B | GLY415 | |
| B | HIS385 | |
| B | CYS413 |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1afw |
| Chain | Residue | Details |
| C | GLY415 | |
| C | HIS385 | |
| C | CYS413 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1afw |
| Chain | Residue | Details |
| D | GLY415 | |
| D | HIS385 | |
| D | CYS413 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1afw |
| Chain | Residue | Details |
| A | HIS385 | |
| A | CYS413 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1afw |
| Chain | Residue | Details |
| B | HIS385 | |
| B | CYS413 |
| site_id | CSA7 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1afw |
| Chain | Residue | Details |
| C | HIS385 | |
| C | CYS413 |
| site_id | CSA8 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1afw |
| Chain | Residue | Details |
| D | HIS385 | |
| D | CYS413 |
