4C2K
Crystal structure of human mitochondrial 3-ketoacyl-CoA thiolase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003723 | molecular_function | RNA binding |
| A | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| A | 0003986 | molecular_function | acetyl-CoA hydrolase activity |
| A | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005759 | cellular_component | mitochondrial matrix |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006635 | biological_process | fatty acid beta-oxidation |
| A | 0006695 | biological_process | cholesterol biosynthetic process |
| A | 0016604 | cellular_component | nuclear body |
| 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 | 0016787 | molecular_function | hydrolase activity |
| A | 0036064 | cellular_component | ciliary basal body |
| A | 0047617 | molecular_function | fatty acyl-CoA hydrolase activity |
| A | 0071456 | biological_process | cellular response to hypoxia |
| A | 1901029 | biological_process | negative regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway |
| A | 1902109 | biological_process | negative regulation of mitochondrial membrane permeability involved in apoptotic process |
| B | 0003723 | molecular_function | RNA binding |
| B | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| B | 0003986 | molecular_function | acetyl-CoA hydrolase activity |
| B | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005759 | cellular_component | mitochondrial matrix |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006635 | biological_process | fatty acid beta-oxidation |
| B | 0006695 | biological_process | cholesterol biosynthetic process |
| B | 0016604 | cellular_component | nuclear body |
| 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 | 0016787 | molecular_function | hydrolase activity |
| B | 0036064 | cellular_component | ciliary basal body |
| B | 0047617 | molecular_function | fatty acyl-CoA hydrolase activity |
| B | 0071456 | biological_process | cellular response to hypoxia |
| B | 1901029 | biological_process | negative regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway |
| B | 1902109 | biological_process | negative regulation of mitochondrial membrane permeability involved in apoptotic process |
| C | 0003723 | molecular_function | RNA binding |
| C | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| C | 0003986 | molecular_function | acetyl-CoA hydrolase activity |
| C | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0005759 | cellular_component | mitochondrial matrix |
| C | 0006629 | biological_process | lipid metabolic process |
| C | 0006631 | biological_process | fatty acid metabolic process |
| C | 0006635 | biological_process | fatty acid beta-oxidation |
| C | 0006695 | biological_process | cholesterol biosynthetic process |
| C | 0016604 | cellular_component | nuclear body |
| 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 | 0016787 | molecular_function | hydrolase activity |
| C | 0036064 | cellular_component | ciliary basal body |
| C | 0047617 | molecular_function | fatty acyl-CoA hydrolase activity |
| C | 0071456 | biological_process | cellular response to hypoxia |
| C | 1901029 | biological_process | negative regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway |
| C | 1902109 | biological_process | negative regulation of mitochondrial membrane permeability involved in apoptotic process |
| D | 0003723 | molecular_function | RNA binding |
| D | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| D | 0003986 | molecular_function | acetyl-CoA hydrolase activity |
| D | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0005739 | cellular_component | mitochondrion |
| D | 0005759 | cellular_component | mitochondrial matrix |
| D | 0006629 | biological_process | lipid metabolic process |
| D | 0006631 | biological_process | fatty acid metabolic process |
| D | 0006635 | biological_process | fatty acid beta-oxidation |
| D | 0006695 | biological_process | cholesterol biosynthetic process |
| D | 0016604 | cellular_component | nuclear body |
| 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 | 0016787 | molecular_function | hydrolase activity |
| D | 0036064 | cellular_component | ciliary basal body |
| D | 0047617 | molecular_function | fatty acyl-CoA hydrolase activity |
| D | 0071456 | biological_process | cellular response to hypoxia |
| D | 1901029 | biological_process | negative regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway |
| D | 1902109 | biological_process | negative regulation of mitochondrial membrane permeability involved in apoptotic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 1398 |
| Chain | Residue |
| C | TRP149 |
| C | LEU152 |
| C | THR153 |
| C | PRO160 |
| C | HOH2082 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 1399 |
| Chain | Residue |
| C | ARG76 |
| C | GLY78 |
| C | VAL170 |
| C | LYS240 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D 1397 |
| Chain | Residue |
| D | TRP149 |
| D | LEU152 |
| D | THR153 |
| D | PRO160 |
| D | HOH2052 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 1397 |
| Chain | Residue |
| A | TRP149 |
| A | LEU152 |
| A | THR153 |
| A | PRO160 |
| A | HOH2087 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 1398 |
| Chain | Residue |
| A | LEU311 |
| A | MET314 |
| A | VAL317 |
| A | LEU336 |
| A | ASP337 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 1398 |
| Chain | Residue |
| B | TRP149 |
| B | LEU152 |
| B | THR153 |
| B | PRO160 |
| B | HOH2049 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D 1398 |
| Chain | Residue |
| D | LEU311 |
| D | MET314 |
| D | LEU336 |
| D | ASP337 |
| D | HOH2093 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 1399 |
| Chain | Residue |
| B | LEU311 |
| B | MET314 |
| B | LEU336 |
| B | ASP337 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO C 1400 |
| Chain | Residue |
| C | LEU311 |
| C | MET314 |
| C | VAL317 |
| C | LEU336 |
| C | ASP337 |
| C | LYS340 |
| site_id | BC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO D 1399 |
| Chain | Residue |
| C | ARG90 |
| C | HOH2051 |
| C | HOH2058 |
| D | SER53 |
| D | PRO84 |
| D | GLU105 |
| D | GLU110 |
| D | HOH2026 |
| site_id | BC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO D 1400 |
| Chain | Residue |
| C | GLU110 |
| D | MET1 |
| D | LEU3 |
| D | GLY281 |
| D | TYR282 |
| D | LYS306 |
| D | HOH2001 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO C 1401 |
| Chain | Residue |
| C | LEU23 |
| C | LEU24 |
| C | LYS25 |
| C | ASP26 |
| C | PHE27 |
| C | LYS209 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO C 1402 |
| Chain | Residue |
| C | ASN131 |
| C | PHE134 |
| C | HOH2070 |
| C | HOH2072 |
| D | LYS25 |
| D | SER123 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D 1401 |
| Chain | Residue |
| D | LEU152 |
| D | SER251 |
| D | HIS352 |
| D | HOH2075 |
| D | HOH2101 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 1400 |
| Chain | Residue |
| A | GLU110 |
| B | LEU3 |
| B | GLY281 |
| B | TYR282 |
| B | LYS306 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO D 1402 |
| Chain | Residue |
| D | LYS191 |
| D | ASN194 |
| D | ASP195 |
| D | PRO225 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 1403 |
| Chain | Residue |
| C | GLN185 |
| C | LEU328 |
| C | GLU331 |
| C | ILE338 |
| site_id | BC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 1401 |
| Chain | Residue |
| A | LYS25 |
| B | ASN131 |
| B | PHE134 |
| site_id | CC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 1399 |
| Chain | Residue |
| A | PHE27 |
| A | ILE206 |
| A | GLU207 |
| site_id | CC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO C 1404 |
| Chain | Residue |
| C | HOH2138 |
| D | ASN131 |
| D | PHE134 |
| C | LYS25 |
| C | ASP26 |
| C | SER123 |
| C | GLN124 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 1402 |
| Chain | Residue |
| A | ASN131 |
| A | PHE134 |
| A | HOH2073 |
| A | HOH2074 |
| B | LYS25 |
| B | SER123 |
| site_id | CC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DTT A 1400 |
| Chain | Residue |
| A | ARG371 |
| A | ARG372 |
| B | LEU184 |
| B | THR227 |
| B | THR228 |
| B | LEU229 |
| site_id | CC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MES B 1403 |
| Chain | Residue |
| B | TYR20 |
| B | GLY252 |
| B | VAL253 |
| B | HOH2108 |
| C | LYS137 |
| C | LEU138 |
| site_id | CC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MES A 1401 |
| Chain | Residue |
| A | TYR20 |
| A | GLY252 |
| A | VAL253 |
| A | HOH2141 |
| D | LYS137 |
| D | LEU138 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MES B 1404 |
| Chain | Residue |
| B | LYS137 |
| B | LEU138 |
| C | TYR20 |
| C | GLY252 |
| C | VAL253 |
| site_id | CC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MES D 1403 |
| Chain | Residue |
| A | LEU138 |
| D | GLY252 |
| D | VAL253 |
Functional Information from PROSITE/UniProt
| site_id | PS00098 |
| Number of Residues | 19 |
| Details | THIOLASE_1 Thiolases acyl-enzyme intermediate signature. INRlCGSGFqSIvngcqeI |
| Chain | Residue | Details |
| A | ILE88-ILE106 |
| site_id | PS00099 |
| Number of Residues | 14 |
| Details | THIOLASE_3 Thiolases active site. AVGSACIGgGqGiA |
| Chain | Residue | Details |
| A | ALA377-ALA390 |
| site_id | PS00737 |
| Number of Residues | 17 |
| Details | THIOLASE_2 Thiolases signature 2. NvnGGaIAlGHPlGgSG |
| Chain | Residue | Details |
| A | ASN342-GLY358 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Acyl-thioester intermediate","evidences":[{"source":"PubMed","id":"25478839","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"PubMed","id":"25478839","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"25478839","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4C2J","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Site: {"description":"Increases nucleophilicity of active site Cys","evidences":[{"source":"PubMed","id":"25478839","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 36 |
| Details | Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"Q8BWT1","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 16 |
| Details | Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q8BWT1","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"Q8BWT1","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 8 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI12 |
| Number of Residues | 20 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q8BWT1","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI13 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q8BWT1","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI14 |
| Number of Residues | 30 |
| Details | Transit peptide: {"description":"Mitochondrion; not cleaved"} |
| Chain | Residue | Details |
