3WCF
The complex structure of HsSQS wtih ligand,BPH1218
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| 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 | 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 | 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 | 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 | 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 | 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 | 11 |
| Details | BINDING SITE FOR RESIDUE BH8 A 401 |
| Chain | Residue |
| A | TYR73 |
| A | HOH513 |
| A | HOH617 |
| A | LEU76 |
| A | ARG77 |
| A | ASP80 |
| A | LEU183 |
| A | MET207 |
| A | LEU211 |
| A | GLN212 |
| A | ASN215 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE BH8 B 401 |
| Chain | Residue |
| B | THR50 |
| B | SER51 |
| B | ARG52 |
| B | SER53 |
| B | PHE54 |
| B | TYR73 |
| B | GLN212 |
| B | ASN215 |
| B | CYS289 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE BH8 C 401 |
| Chain | Residue |
| C | ARG52 |
| C | SER53 |
| C | ALA176 |
| C | LEU183 |
| C | LEU211 |
| C | ASN215 |
| C | ARG218 |
| C | TYR276 |
| C | CYS289 |
| C | HOH536 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE BH8 D 401 |
| Chain | Residue |
| D | THR50 |
| D | SER51 |
| D | ARG52 |
| D | SER53 |
| D | PHE54 |
| D | TYR73 |
| D | GLY180 |
| D | LEU211 |
| D | HOH522 |
| D | HOH541 |
| D | HOH556 |
| site_id | AC5 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE BH8 E 401 |
| Chain | Residue |
| E | SER51 |
| E | ARG52 |
| E | SER53 |
| E | PHE54 |
| E | VAL179 |
| E | GLY180 |
| E | LEU183 |
| E | MET207 |
| E | LEU211 |
| E | ASN215 |
| E | ARG218 |
| E | CYS289 |
| site_id | AC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE BH8 F 401 |
| Chain | Residue |
| F | SER51 |
| F | ARG52 |
| F | SER53 |
| F | PHE54 |
| F | TYR73 |
| F | VAL179 |
| F | GLY180 |
| F | LEU183 |
| F | GLY208 |
| F | LEU211 |
| F | GLN212 |
| F | ASN215 |
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 | Transmembrane: {"description":"Helical","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 30 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"24531458","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 18 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"24531458","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3WEG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3WEH","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
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 |
