6ARE
Aspergillus fumigatus Cytosolic Thiolase in complex with two tetrahedral reaction intermediates and ammonium 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 | 0006629 | biological_process | lipid metabolic process |
| A | 0006635 | biological_process | fatty acid beta-oxidation |
| A | 0006694 | biological_process | steroid biosynthetic process |
| A | 0006696 | biological_process | ergosterol biosynthetic process |
| A | 0008202 | biological_process | steroid metabolic process |
| A | 0016126 | biological_process | sterol 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 |
| 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 | 0006629 | biological_process | lipid metabolic process |
| B | 0006635 | biological_process | fatty acid beta-oxidation |
| B | 0006694 | biological_process | steroid biosynthetic process |
| B | 0006696 | biological_process | ergosterol biosynthetic process |
| B | 0008202 | biological_process | steroid metabolic process |
| B | 0016126 | biological_process | sterol 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 |
| 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 | 0006629 | biological_process | lipid metabolic process |
| C | 0006635 | biological_process | fatty acid beta-oxidation |
| C | 0006694 | biological_process | steroid biosynthetic process |
| C | 0006696 | biological_process | ergosterol biosynthetic process |
| C | 0008202 | biological_process | steroid metabolic process |
| C | 0016126 | biological_process | sterol 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 |
| 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 | 0006629 | biological_process | lipid metabolic process |
| D | 0006635 | biological_process | fatty acid beta-oxidation |
| D | 0006694 | biological_process | steroid biosynthetic process |
| D | 0006696 | biological_process | ergosterol biosynthetic process |
| D | 0008202 | biological_process | steroid metabolic process |
| D | 0016126 | biological_process | sterol 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 |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 23 |
| Details | binding site for residue COA A 401 |
| Chain | Residue |
| A | SCY92 |
| A | PRO250 |
| A | SER253 |
| A | PHE294 |
| A | ALA324 |
| A | PHE325 |
| A | HIS354 |
| A | HOH519 |
| A | HOH599 |
| A | HOH610 |
| A | HOH615 |
| A | LEU152 |
| A | HOH686 |
| A | HOH690 |
| A | HOH747 |
| A | HOH778 |
| A | TYR187 |
| A | ASN227 |
| A | LEU228 |
| A | ASN229 |
| A | LYS232 |
| A | ILE236 |
| A | ALA249 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue CL A 402 |
| Chain | Residue |
| A | ASN385 |
| A | GLY389 |
| A | HOH611 |
| B | ARG71 |
| B | HOH798 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue NH4 A 403 |
| Chain | Residue |
| A | TYR187 |
| A | ALA249 |
| A | PRO250 |
| A | SER252 |
| A | VAL350 |
| A | HOH690 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue NH4 A 404 |
| Chain | Residue |
| A | ASP200 |
| A | GLU201 |
| A | ILE203 |
| A | HOH535 |
| A | HOH703 |
| site_id | AC5 |
| Number of Residues | 19 |
| Details | binding site for residue COA B 401 |
| Chain | Residue |
| B | SCY92 |
| B | LEU152 |
| B | MET161 |
| B | TYR187 |
| B | ASN227 |
| B | ASN229 |
| B | LYS232 |
| B | LEU233 |
| B | ILE236 |
| B | ALA249 |
| B | PRO250 |
| B | SER253 |
| B | ALA324 |
| B | HIS354 |
| B | HOH505 |
| B | HOH601 |
| B | HOH670 |
| B | HOH730 |
| B | HOH746 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue CL B 402 |
| Chain | Residue |
| A | ARG71 |
| A | HOH738 |
| B | ASN385 |
| B | GLY387 |
| B | GLY389 |
| B | HOH603 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue NH4 B 403 |
| Chain | Residue |
| B | TYR187 |
| B | ALA249 |
| B | PRO250 |
| B | SER252 |
| B | VAL350 |
| B | HOH670 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue NH4 B 404 |
| Chain | Residue |
| B | ASP200 |
| B | GLU201 |
| B | ILE203 |
| B | HOH748 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | binding site for residue NH4 B 405 |
| Chain | Residue |
| B | VAL44 |
| B | LEU47 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue CL C 402 |
| Chain | Residue |
| C | ASN385 |
| C | GLY389 |
| C | HOH536 |
| D | ARG71 |
| D | HOH656 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue NH4 C 403 |
| Chain | Residue |
| C | TYR187 |
| C | ALA249 |
| C | PRO250 |
| C | SER252 |
| C | VAL350 |
| C | HOH645 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue NH4 C 404 |
| Chain | Residue |
| C | ASP200 |
| C | GLU201 |
| C | ILE203 |
| C | HOH667 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue NH4 C 405 |
| Chain | Residue |
| C | LEU41 |
| C | VAL44 |
| C | LEU47 |
| site_id | AD5 |
| Number of Residues | 14 |
| Details | binding site for residue COA D 401 |
| Chain | Residue |
| D | ASN229 |
| D | ILE236 |
| D | PRO250 |
| D | SER253 |
| D | ALA324 |
| D | HIS354 |
| D | ACT402 |
| D | HOH506 |
| D | HOH585 |
| D | CYS92 |
| D | LEU152 |
| D | MET161 |
| D | TYR187 |
| D | ASN227 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue CL D 403 |
| Chain | Residue |
| C | ARG71 |
| C | HOH670 |
| D | ASN385 |
| D | GLY389 |
| D | HOH515 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue NH4 D 404 |
| Chain | Residue |
| D | TYR187 |
| D | ALA249 |
| D | PRO250 |
| D | SER252 |
| D | VAL350 |
| D | HOH585 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue NH4 D 405 |
| Chain | Residue |
| D | ASP200 |
| D | GLU201 |
| D | ILE203 |
| D | HOH578 |
| site_id | AD9 |
| Number of Residues | 13 |
| Details | binding site for Di-peptide ACT C 401 and CYS C 92 |
| Chain | Residue |
| C | LYS90 |
| C | VAL91 |
| C | ALA93 |
| C | SER94 |
| C | GLY151 |
| C | HIS354 |
| C | ILE356 |
| C | ILE383 |
| C | CYS384 |
| C | ASN385 |
| C | GLY386 |
| C | ACO406 |
| C | HOH514 |
| site_id | AE1 |
| Number of Residues | 21 |
| Details | binding site for residues ACT C 401 and ACO C 406 |
| Chain | Residue |
| C | VAL91 |
| C | CYS92 |
| C | GLY151 |
| C | LEU152 |
| C | TYR187 |
| C | ASN227 |
| C | LEU228 |
| C | ASN229 |
| C | ILE236 |
| C | PHE240 |
| C | ALA249 |
| C | SER253 |
| C | ALA324 |
| C | PHE325 |
| C | HIS354 |
| C | CYS384 |
| C | ASN385 |
| C | GLY386 |
| C | HOH501 |
| C | HOH533 |
| C | HOH575 |
| site_id | AE2 |
| Number of Residues | 14 |
| Details | binding site for Di-peptide ACT D 402 and CYS D 92 |
| Chain | Residue |
| C | GLN67 |
| D | LYS90 |
| D | VAL91 |
| D | ALA93 |
| D | SER94 |
| D | GLY151 |
| D | HIS354 |
| D | ILE356 |
| D | ILE383 |
| D | CYS384 |
| D | ASN385 |
| D | GLY386 |
| D | COA401 |
| D | HOH512 |
Functional Information from PROSITE/UniProt
| site_id | PS00053 |
| Number of Residues | 18 |
| Details | RIBOSOMAL_S8 Ribosomal protein S8 signature. GarILTTLlGVLkakkGK |
| Chain | Residue | Details |
| C | GLY360-LYS377 | |
| A | GLY360-LYS377 |
| site_id | PS00098 |
| Number of Residues | 19 |
| Details | THIOLASE_1 Thiolases acyl-enzyme intermediate signature. VNKvCASGLkAIilgaqtI |
| Chain | Residue | Details |
| C | VAL88-ILE106 | |
| A | VAL88-ILE106 |
| site_id | PS00737 |
| Number of Residues | 17 |
| Details | THIOLASE_2 Thiolases signature 2. NlhGGaVAiGHPiGaSG |
| Chain | Residue | Details |
| C | ASN344-GLY360 | |
| A | ASN344-GLY360 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000250|UniProtKB:P24752 |
| Chain | Residue | Details |
| C | CYS92 | |
| D | CYS92 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU10020 |
| Chain | Residue | Details |
| C | HIS354 | |
| C | CYS384 | |
| D | HIS354 | |
| D | CYS384 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| 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 |
| C | TYR187 | |
| D | SER252 | |
| D | VAL350 | |
| D | ASN385 | |
| C | ALA249 | |
| C | PRO250 | |
| C | SER252 | |
| C | VAL350 | |
| C | ASN385 | |
| D | TYR187 | |
| D | ALA249 | |
| D | PRO250 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|DOI:10.1021/acscatal.7b02873, ECO:0007744|PDB:6ARE |
| Chain | Residue | Details |
| C | ASN229 | |
| C | LYS232 | |
| C | SER253 | |
| D | ASN229 | |
| D | LYS232 | |
| D | SER253 |
