1U0W
An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization Specificity of Type III Polyketide Synthases: 18xCHS+resveratrol Structure
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0009058 | biological_process | biosynthetic process |
| A | 0009715 | biological_process | chalcone biosynthetic process |
| A | 0009813 | biological_process | flavonoid biosynthetic process |
| A | 0016210 | molecular_function | naringenin-chalcone synthase activity |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| A | 0030639 | biological_process | polyketide biosynthetic process |
| A | 0102128 | molecular_function | chalcone synthase activity |
| B | 0009058 | biological_process | biosynthetic process |
| B | 0009715 | biological_process | chalcone biosynthetic process |
| B | 0009813 | biological_process | flavonoid biosynthetic process |
| B | 0016210 | molecular_function | naringenin-chalcone synthase activity |
| B | 0016746 | molecular_function | acyltransferase activity |
| B | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| B | 0030639 | biological_process | polyketide biosynthetic process |
| B | 0102128 | molecular_function | chalcone synthase activity |
| C | 0009058 | biological_process | biosynthetic process |
| C | 0009715 | biological_process | chalcone biosynthetic process |
| C | 0009813 | biological_process | flavonoid biosynthetic process |
| C | 0016210 | molecular_function | naringenin-chalcone synthase activity |
| C | 0016746 | molecular_function | acyltransferase activity |
| C | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| C | 0030639 | biological_process | polyketide biosynthetic process |
| C | 0102128 | molecular_function | chalcone synthase activity |
| D | 0009058 | biological_process | biosynthetic process |
| D | 0009715 | biological_process | chalcone biosynthetic process |
| D | 0009813 | biological_process | flavonoid biosynthetic process |
| D | 0016210 | molecular_function | naringenin-chalcone synthase activity |
| D | 0016746 | molecular_function | acyltransferase activity |
| D | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| D | 0030639 | biological_process | polyketide biosynthetic process |
| D | 0102128 | molecular_function | chalcone synthase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE STL A 2000 |
| Chain | Residue |
| A | CYS164 |
| A | GLY256 |
| A | THR264 |
| A | PHE265 |
| A | ASN336 |
| A | SER338 |
| A | PRO375 |
| A | GLU192 |
| A | VAL193 |
| A | THR194 |
| A | THR197 |
| A | GLY216 |
| A | ASP217 |
| A | ILE254 |
| A | ASP255 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE STL B 2001 |
| Chain | Residue |
| B | THR132 |
| B | GLU192 |
| B | VAL193 |
| B | THR194 |
| B | PHE215 |
| B | GLY216 |
| B | ASP217 |
| B | ILE254 |
| B | ASP255 |
| B | GLY256 |
| B | ASN336 |
| B | SER338 |
| B | HOH2038 |
| B | HOH2201 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE STL C 2002 |
| Chain | Residue |
| C | GLU192 |
| C | VAL193 |
| C | THR194 |
| C | PHE215 |
| C | GLY216 |
| C | ASP217 |
| C | ILE254 |
| C | ASP255 |
| C | GLY256 |
| C | THR264 |
| C | PHE265 |
| C | ASN336 |
| C | SER338 |
| C | HOH2122 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE STL D 2003 |
| Chain | Residue |
| D | GLU192 |
| D | VAL193 |
| D | THR194 |
| D | PHE215 |
| D | GLY216 |
| D | ASP217 |
| D | ILE254 |
| D | ASP255 |
| D | GLY256 |
| D | LEU263 |
| D | PHE265 |
| D | ASN336 |
| D | SER338 |
Functional Information from PROSITE/UniProt
| site_id | PS00441 |
| Number of Residues | 17 |
| Details | CHALCONE_SYNTH Chalcone and stilbene synthases active site. RVgVfQhGCFAGGTvLR |
| Chain | Residue | Details |
| A | ARG156-ARG172 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000305 |
| Chain | Residue | Details |
| A | CYS164 | |
| B | CYS164 | |
| C | CYS164 | |
| D | CYS164 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | LYS55 | |
| A | GLY216 | |
| B | LYS55 | |
| B | GLY216 | |
| C | LYS55 | |
| C | GLY216 | |
| D | LYS55 | |
| D | GLY216 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10426957 |
| Chain | Residue | Details |
| A | THR197 | |
| B | THR197 | |
| C | THR197 | |
| D | THR197 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10426957, ECO:0000269|PubMed:10653632 |
| Chain | Residue | Details |
| A | ALA308 | |
| B | ALA308 | |
| C | ALA308 | |
| D | ALA308 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1cgk |
| Chain | Residue | Details |
| A | PHE215 | |
| A | CYS164 | |
| A | ASN336 | |
| A | HIS303 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1cgk |
| Chain | Residue | Details |
| B | PHE215 | |
| B | CYS164 | |
| B | ASN336 | |
| B | HIS303 |
| site_id | CSA3 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1cgk |
| Chain | Residue | Details |
| C | PHE215 | |
| C | CYS164 | |
| C | ASN336 | |
| C | HIS303 |
| site_id | CSA4 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1cgk |
| Chain | Residue | Details |
| D | PHE215 | |
| D | CYS164 | |
| D | ASN336 | |
| D | HIS303 |
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 355 |
| Chain | Residue | Details |
| A | CYS164 | activator, covalently attached, nucleofuge, nucleophile |
| A | PHE215 | electrostatic destabiliser, polar/non-polar interaction |
| A | HIS303 | electrostatic stabiliser, hydrogen bond donor |
| A | ASN336 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 355 |
| Chain | Residue | Details |
| B | CYS164 | activator, covalently attached, nucleofuge, nucleophile |
| B | PHE215 | electrostatic destabiliser, polar/non-polar interaction |
| B | HIS303 | electrostatic stabiliser, hydrogen bond donor |
| B | ASN336 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA3 |
| Number of Residues | 4 |
| Details | M-CSA 355 |
| Chain | Residue | Details |
| C | CYS164 | activator, covalently attached, nucleofuge, nucleophile |
| C | PHE215 | electrostatic destabiliser, polar/non-polar interaction |
| C | HIS303 | electrostatic stabiliser, hydrogen bond donor |
| C | ASN336 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA4 |
| Number of Residues | 4 |
| Details | M-CSA 355 |
| Chain | Residue | Details |
| D | CYS164 | activator, covalently attached, nucleofuge, nucleophile |
| D | PHE215 | electrostatic destabiliser, polar/non-polar interaction |
| D | HIS303 | electrostatic stabiliser, hydrogen bond donor |
| D | ASN336 | electrostatic stabiliser, hydrogen bond donor |
