3WCD
The complex structure of HsSQS wtih ligand, WC-9
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004310 | molecular_function | obsolete farnesyl-diphosphate farnesyltransferase activity |
| A | 0008610 | biological_process | lipid biosynthetic process |
| A | 0009058 | biological_process | biosynthetic process |
| A | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| A | 0045338 | biological_process | farnesyl diphosphate metabolic process |
| A | 0051996 | molecular_function | squalene synthase [NAD(P)H] activity |
| B | 0004310 | molecular_function | obsolete farnesyl-diphosphate farnesyltransferase activity |
| B | 0008610 | biological_process | lipid biosynthetic process |
| B | 0009058 | biological_process | biosynthetic process |
| B | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| B | 0045338 | biological_process | farnesyl diphosphate metabolic process |
| B | 0051996 | molecular_function | squalene synthase [NAD(P)H] activity |
| C | 0004310 | molecular_function | obsolete farnesyl-diphosphate farnesyltransferase activity |
| C | 0008610 | biological_process | lipid biosynthetic process |
| C | 0009058 | biological_process | biosynthetic process |
| C | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| C | 0045338 | biological_process | farnesyl diphosphate metabolic process |
| C | 0051996 | molecular_function | squalene synthase [NAD(P)H] activity |
| D | 0004310 | molecular_function | obsolete farnesyl-diphosphate farnesyltransferase activity |
| D | 0008610 | biological_process | lipid biosynthetic process |
| D | 0009058 | biological_process | biosynthetic process |
| D | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| D | 0045338 | biological_process | farnesyl diphosphate metabolic process |
| D | 0051996 | molecular_function | squalene synthase [NAD(P)H] activity |
| E | 0004310 | molecular_function | obsolete farnesyl-diphosphate farnesyltransferase activity |
| E | 0008610 | biological_process | lipid biosynthetic process |
| E | 0009058 | biological_process | biosynthetic process |
| E | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| E | 0045338 | biological_process | farnesyl diphosphate metabolic process |
| E | 0051996 | molecular_function | squalene synthase [NAD(P)H] activity |
| F | 0004310 | molecular_function | obsolete farnesyl-diphosphate farnesyltransferase activity |
| F | 0008610 | biological_process | lipid biosynthetic process |
| F | 0009058 | biological_process | biosynthetic process |
| F | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| F | 0045338 | biological_process | farnesyl diphosphate metabolic process |
| F | 0051996 | molecular_function | squalene synthase [NAD(P)H] activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE RWY A 401 |
| Chain | Residue |
| A | ALA176 |
| A | VAL179 |
| A | GLY180 |
| A | MET207 |
| A | GLY208 |
| A | LEU211 |
| A | CYS289 |
| A | HOH585 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE RWY B 401 |
| Chain | Residue |
| B | VAL179 |
| B | GLY180 |
| B | LEU183 |
| B | MET207 |
| B | GLY208 |
| B | LEU211 |
| B | PHE288 |
| B | CYS289 |
| B | PRO292 |
| B | GLN293 |
| B | HOH646 |
| B | HOH648 |
| B | ALA176 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE RWY D 401 |
| Chain | Residue |
| D | ALA176 |
| D | VAL179 |
| D | GLY180 |
| D | MET207 |
| D | LEU211 |
| D | PHE288 |
| D | CYS289 |
| D | HOH604 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE RWY E 401 |
| Chain | Residue |
| E | TYR73 |
| E | ARG77 |
| E | ALA176 |
| E | VAL179 |
| E | GLY180 |
| E | LEU183 |
| E | MET207 |
| E | PHE288 |
| E | CYS289 |
| E | PRO292 |
| E | GLN293 |
Functional Information from PROSITE/UniProt
| site_id | PS01044 |
| Number of Residues | 16 |
| Details | SQUALEN_PHYTOEN_SYN_1 Squalene and phytoene synthases signature 1. YChyVAGLVGigLsrL |
| Chain | Residue | Details |
| A | TYR171-LEU186 |
| site_id | PS01045 |
| Number of Residues | 26 |
| Details | SQUALEN_PHYTOEN_SYN_2 Squalene and phytoene synthases signature 2. MGlflQkt.NIiRDYleDqqgg...ReFwP |
| Chain | Residue | Details |
| A | MET207-PRO232 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 120 |
| Details | TRANSMEM: Helical => ECO:0000255 |
| Chain | Residue | Details |
| A | SER284-TYR304 | |
| B | SER284-TYR304 | |
| C | SER284-TYR304 | |
| D | SER284-TYR304 | |
| E | SER284-TYR304 | |
| F | SER284-TYR304 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 30 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:24531458 |
| Chain | Residue | Details |
| A | ARG52 | |
| B | ARG317 | |
| C | ARG52 | |
| C | ARG77 | |
| C | ARG218 | |
| C | LEU315 | |
| C | ARG317 | |
| D | ARG52 | |
| D | ARG77 | |
| D | ARG218 | |
| D | LEU315 | |
| A | ARG77 | |
| D | ARG317 | |
| E | ARG52 | |
| E | ARG77 | |
| E | ARG218 | |
| E | LEU315 | |
| E | ARG317 | |
| F | ARG52 | |
| F | ARG77 | |
| F | ARG218 | |
| F | LEU315 | |
| A | ARG218 | |
| F | ARG317 | |
| A | LEU315 | |
| A | ARG317 | |
| B | ARG52 | |
| B | ARG77 | |
| B | ARG218 | |
| B | LEU315 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 18 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:24531458, ECO:0007744|PDB:3WEG, ECO:0007744|PDB:3WEH |
| Chain | Residue | Details |
| A | ASP80 | |
| D | ASP80 | |
| D | GLU83 | |
| D | ASP84 | |
| E | ASP80 | |
| E | GLU83 | |
| E | ASP84 | |
| F | ASP80 | |
| F | GLU83 | |
| F | ASP84 | |
| A | GLU83 | |
| A | ASP84 | |
| B | ASP80 | |
| B | GLU83 | |
| B | ASP84 | |
| C | ASP80 | |
| C | GLU83 | |
| C | ASP84 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 264 |
| Chain | Residue | Details |
| A | TYR171 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | ARG218 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| A | ARG228 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| A | PHE288 | polar/non-polar interaction, steric role, van der waals interaction |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 264 |
| Chain | Residue | Details |
| B | TYR171 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | ARG218 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| B | ARG228 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| B | PHE288 | polar/non-polar interaction, steric role, van der waals interaction |
| site_id | MCSA3 |
| Number of Residues | 4 |
| Details | M-CSA 264 |
| Chain | Residue | Details |
| C | TYR171 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | ARG218 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| C | ARG228 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| C | PHE288 | polar/non-polar interaction, steric role, van der waals interaction |
| site_id | MCSA4 |
| Number of Residues | 4 |
| Details | M-CSA 264 |
| Chain | Residue | Details |
| D | TYR171 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | ARG218 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| D | ARG228 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| D | PHE288 | polar/non-polar interaction, steric role, van der waals interaction |
| site_id | MCSA5 |
| Number of Residues | 4 |
| Details | M-CSA 264 |
| Chain | Residue | Details |
| E | TYR171 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| E | ARG218 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| E | ARG228 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| E | PHE288 | polar/non-polar interaction, steric role, van der waals interaction |
| site_id | MCSA6 |
| Number of Residues | 4 |
| Details | M-CSA 264 |
| Chain | Residue | Details |
| F | TYR171 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| F | ARG218 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| F | ARG228 | electrostatic stabiliser, hydrogen bond donor, promote heterolysis |
| F | PHE288 | polar/non-polar interaction, steric role, van der waals interaction |
