6AQP
Aspergillus fumigatus Cytosolic Thiolase: Acetylated enzyme in complex with CoA and potassium ions
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005829 | cellular_component | cytosol |
| A | 0006635 | biological_process | fatty acid beta-oxidation |
| A | 0006696 | biological_process | ergosterol biosynthetic process |
| A | 0016126 | biological_process | sterol biosynthetic process |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005829 | cellular_component | cytosol |
| B | 0006635 | biological_process | fatty acid beta-oxidation |
| B | 0006696 | biological_process | ergosterol biosynthetic process |
| B | 0016126 | biological_process | sterol biosynthetic process |
| B | 0016746 | molecular_function | acyltransferase activity |
| B | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0005829 | cellular_component | cytosol |
| C | 0006635 | biological_process | fatty acid beta-oxidation |
| C | 0006696 | biological_process | ergosterol biosynthetic process |
| C | 0016126 | biological_process | sterol biosynthetic process |
| C | 0016746 | molecular_function | acyltransferase activity |
| C | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005739 | cellular_component | mitochondrion |
| D | 0005829 | cellular_component | cytosol |
| D | 0006635 | biological_process | fatty acid beta-oxidation |
| D | 0006696 | biological_process | ergosterol biosynthetic process |
| D | 0016126 | biological_process | sterol biosynthetic process |
| D | 0016746 | molecular_function | acyltransferase activity |
| D | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 21 |
| Details | binding site for residue COA A 401 |
| Chain | Residue |
| A | SCY92 |
| A | SER253 |
| A | ALA324 |
| A | PHE325 |
| A | HIS354 |
| A | HOH519 |
| A | HOH533 |
| A | HOH538 |
| A | HOH573 |
| A | HOH594 |
| A | HOH646 |
| A | LEU152 |
| A | HOH743 |
| A | HOH752 |
| A | TYR187 |
| A | ASN227 |
| A | LEU228 |
| A | ASN229 |
| A | LYS232 |
| A | ALA249 |
| A | PRO250 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue K A 402 |
| Chain | Residue |
| A | TYR187 |
| A | ALA249 |
| A | PRO250 |
| A | SER252 |
| A | VAL350 |
| A | HOH646 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue K A 403 |
| Chain | Residue |
| A | LEU41 |
| A | VAL44 |
| A | LEU47 |
| A | HOH662 |
| A | HOH788 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue K A 404 |
| Chain | Residue |
| A | ASP200 |
| A | GLU201 |
| A | ILE203 |
| A | HOH787 |
| A | HOH859 |
| A | HOH860 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue CL A 405 |
| Chain | Residue |
| A | ASN385 |
| A | GLY389 |
| A | HOH536 |
| B | ARG71 |
| B | HOH742 |
| site_id | AC6 |
| Number of Residues | 21 |
| Details | binding site for residue COA B 401 |
| Chain | Residue |
| B | SCY92 |
| B | LEU152 |
| B | TYR187 |
| B | ASN227 |
| B | ASN229 |
| B | LYS232 |
| B | ILE236 |
| B | PHE240 |
| B | ALA249 |
| B | PRO250 |
| B | SER253 |
| B | PHE294 |
| B | ALA324 |
| B | HIS354 |
| B | HOH502 |
| B | HOH524 |
| B | HOH635 |
| B | HOH640 |
| B | HOH694 |
| C | LYS137 |
| C | HOH631 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue K B 402 |
| Chain | Residue |
| B | TYR187 |
| B | ALA249 |
| B | PRO250 |
| B | SER252 |
| B | VAL350 |
| B | HOH640 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue K B 403 |
| Chain | Residue |
| B | ASP200 |
| B | GLU201 |
| B | ILE203 |
| B | HOH618 |
| B | HOH775 |
| B | HOH813 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue K B 404 |
| Chain | Residue |
| B | LEU41 |
| B | VAL44 |
| B | LEU47 |
| B | HOH729 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue CL B 405 |
| Chain | Residue |
| A | ARG71 |
| A | HOH779 |
| B | ASN385 |
| B | GLY389 |
| B | HOH504 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue K C 401 |
| Chain | Residue |
| C | TYR187 |
| C | ALA249 |
| C | PRO250 |
| C | SER252 |
| C | VAL350 |
| C | HOH743 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue K C 402 |
| Chain | Residue |
| C | ASP200 |
| C | GLU201 |
| C | ILE203 |
| C | HOH959 |
| C | HOH996 |
| C | HOH998 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue K C 403 |
| Chain | Residue |
| C | LEU47 |
| C | HOH817 |
| C | HOH929 |
| C | HOH937 |
| C | LEU41 |
| C | VAL44 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue CL C 404 |
| Chain | Residue |
| C | ASN385 |
| C | GLY387 |
| C | GLY389 |
| C | HOH544 |
| D | ARG71 |
| D | HOH876 |
| site_id | AD6 |
| Number of Residues | 28 |
| Details | binding site for residue ACO C 405 |
| Chain | Residue |
| B | HOH657 |
| C | SCY92 |
| C | LEU152 |
| C | MET161 |
| C | TYR187 |
| C | ASN227 |
| C | ASN229 |
| C | LYS232 |
| C | LEU233 |
| C | ILE236 |
| C | ALA249 |
| C | PRO250 |
| C | SER253 |
| C | PRO254 |
| C | PHE294 |
| C | ALA324 |
| C | PHE325 |
| C | HIS354 |
| C | GLY386 |
| C | HOH513 |
| C | HOH515 |
| C | HOH633 |
| C | HOH724 |
| C | HOH728 |
| C | HOH734 |
| C | HOH771 |
| C | HOH773 |
| C | HOH864 |
| site_id | AD7 |
| Number of Residues | 27 |
| Details | binding site for residue COA D 401 |
| Chain | Residue |
| D | SCY92 |
| D | LEU152 |
| D | MET161 |
| D | TYR187 |
| D | ASN227 |
| D | ASN229 |
| D | LYS232 |
| D | LEU233 |
| D | ILE236 |
| D | ALA249 |
| D | PRO250 |
| D | SER253 |
| D | PRO254 |
| D | PHE294 |
| D | ALA324 |
| D | PHE325 |
| D | HOH512 |
| D | HOH618 |
| D | HOH659 |
| D | HOH700 |
| D | HOH726 |
| D | HOH782 |
| D | HOH792 |
| D | HOH800 |
| D | HOH818 |
| D | HOH847 |
| D | HOH858 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue K D 402 |
| Chain | Residue |
| D | TYR187 |
| D | ALA249 |
| D | PRO250 |
| D | SER252 |
| D | VAL350 |
| D | HOH700 |
| site_id | AD9 |
| Number of Residues | 7 |
| Details | binding site for residue K D 403 |
| Chain | Residue |
| D | ASP200 |
| D | GLU201 |
| D | ILE203 |
| D | HOH899 |
| D | HOH977 |
| D | HOH1002 |
| D | HOH1061 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue K D 404 |
| Chain | Residue |
| D | LEU41 |
| D | VAL44 |
| D | LEU47 |
| D | HOH785 |
| D | HOH907 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue CL D 405 |
| Chain | Residue |
| C | ARG71 |
| C | HOH816 |
| D | ASN385 |
| D | GLY387 |
| D | GLY389 |
| D | HOH621 |
Functional Information from PROSITE/UniProt
| site_id | PS00053 |
| Number of Residues | 18 |
| Details | RIBOSOMAL_S8 Ribosomal protein S8 signature. GarILTTLlGVLkakkGK |
| Chain | Residue | Details |
| A | GLY360-LYS377 |
| site_id | PS00098 |
| Number of Residues | 19 |
| Details | THIOLASE_1 Thiolases acyl-enzyme intermediate signature. VNKvCASGLkAIilgaqtI |
| Chain | Residue | Details |
| A | VAL88-ILE106 |
| site_id | PS00737 |
| Number of Residues | 17 |
| Details | THIOLASE_2 Thiolases signature 2. NlhGGaVAiGHPiGaSG |
| Chain | Residue | Details |
| A | ASN344-GLY360 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000250|UniProtKB:P24752 |
| Chain | Residue | Details |
| A | SCY92 | |
| B | SCY92 | |
| C | SCY92 | |
| D | SCY92 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU10020 |
| Chain | Residue | Details |
| A | HIS354 | |
| A | CYS384 | |
| B | HIS354 | |
| B | CYS384 | |
| C | HIS354 | |
| C | CYS384 | |
| D | HIS354 | |
| D | CYS384 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000269|DOI:10.1021/acscatal.7b02873, ECO:0007744|PDB:6AQP, ECO:0007744|PDB:6ARF, ECO:0007744|PDB:6ARG, ECO:0007744|PDB:6ARL, ECO:0007744|PDB:6ARR, ECO:0007744|PDB:6ART |
| Chain | Residue | Details |
| A | TYR187 | |
| B | SER252 | |
| B | VAL350 | |
| B | ASN385 | |
| C | TYR187 | |
| C | ALA249 | |
| C | PRO250 | |
| C | SER252 | |
| C | VAL350 | |
| C | ASN385 | |
| D | TYR187 | |
| A | ALA249 | |
| D | ALA249 | |
| D | PRO250 | |
| D | SER252 | |
| D | VAL350 | |
| D | ASN385 | |
| A | PRO250 | |
| A | SER252 | |
| A | VAL350 | |
| A | ASN385 | |
| B | TYR187 | |
| B | ALA249 | |
| B | PRO250 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|DOI:10.1021/acscatal.7b02873, ECO:0007744|PDB:6ARE |
| Chain | Residue | Details |
| A | ASN229 | |
| D | ASN229 | |
| D | LYS232 | |
| D | SER253 | |
| A | LYS232 | |
| A | SER253 | |
| B | ASN229 | |
| B | LYS232 | |
| B | SER253 | |
| C | ASN229 | |
| C | LYS232 | |
| C | SER253 |
