3WEF
Crystal structure of the human squalene synthase in complex with farnesyl thiopyrophosphate
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004310 | molecular_function | farnesyl-diphosphate farnesyltransferase activity |
A | 0004311 | molecular_function | farnesyltranstransferase 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 |
B | 0004310 | molecular_function | farnesyl-diphosphate farnesyltransferase activity |
B | 0004311 | molecular_function | farnesyltranstransferase 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 |
C | 0004310 | molecular_function | farnesyl-diphosphate farnesyltransferase activity |
C | 0004311 | molecular_function | farnesyltranstransferase 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 |
D | 0004310 | molecular_function | farnesyl-diphosphate farnesyltransferase activity |
D | 0004311 | molecular_function | farnesyltranstransferase 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 |
E | 0004310 | molecular_function | farnesyl-diphosphate farnesyltransferase activity |
E | 0004311 | molecular_function | farnesyltranstransferase 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 |
F | 0004310 | molecular_function | farnesyl-diphosphate farnesyltransferase activity |
F | 0004311 | molecular_function | farnesyltranstransferase 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 |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE FPS A 401 |
Chain | Residue |
A | THR50 |
A | GLN212 |
A | ASN215 |
A | CYS289 |
A | FPS402 |
A | SER51 |
A | ARG52 |
A | SER53 |
A | PHE54 |
A | ARG77 |
A | GLY180 |
A | MET207 |
A | LEU211 |
site_id | AC2 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE FPS A 402 |
Chain | Residue |
A | ILE58 |
A | TYR73 |
A | ARG77 |
A | ASP80 |
A | ASP84 |
A | VAL175 |
A | PHE288 |
A | FPS401 |
site_id | AC3 |
Number of Residues | 14 |
Details | BINDING SITE FOR RESIDUE FPS B 401 |
Chain | Residue |
B | THR50 |
B | ARG52 |
B | SER53 |
B | PHE54 |
B | TYR73 |
B | ARG77 |
B | VAL179 |
B | GLY180 |
B | MET207 |
B | LEU211 |
B | GLN212 |
B | TYR276 |
B | CYS289 |
B | FPS402 |
site_id | AC4 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE FPS B 402 |
Chain | Residue |
B | TYR73 |
B | ARG77 |
B | ASP80 |
B | GLU83 |
B | ASP84 |
B | MET150 |
B | MET154 |
B | TYR171 |
B | VAL175 |
B | VAL179 |
B | GLN212 |
B | PHE288 |
B | FPS401 |
site_id | AC5 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE FPS C 401 |
Chain | Residue |
C | THR50 |
C | SER51 |
C | ARG52 |
C | SER53 |
C | PHE54 |
C | ARG77 |
C | GLY180 |
C | MET207 |
C | LEU211 |
C | GLN212 |
C | ASN215 |
C | CYS289 |
site_id | AC6 |
Number of Residues | 16 |
Details | BINDING SITE FOR RESIDUE FPS D 401 |
Chain | Residue |
D | THR50 |
D | SER51 |
D | SER53 |
D | PHE54 |
D | TYR73 |
D | ARG77 |
D | GLY180 |
D | LEU183 |
D | MET207 |
D | GLN212 |
D | ASN215 |
D | PHE288 |
D | CYS289 |
D | HOH505 |
D | HOH516 |
D | HOH520 |
site_id | AC7 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE FPS E 401 |
Chain | Residue |
E | THR50 |
E | SER51 |
E | ARG52 |
E | SER53 |
E | PHE54 |
E | TYR73 |
E | GLY180 |
E | MET207 |
E | LEU211 |
E | GLN212 |
E | ASN215 |
E | CYS289 |
E | FPS402 |
site_id | AC8 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE FPS E 402 |
Chain | Residue |
E | FPS401 |
E | TYR73 |
E | ARG77 |
E | ASP80 |
E | GLU83 |
E | ASP84 |
E | TYR171 |
E | VAL175 |
E | GLN212 |
E | ARG228 |
E | PHE230 |
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 | LYS315 | |
C | ARG317 | |
D | ARG52 | |
D | ARG77 | |
D | ARG218 | |
D | LYS315 | |
A | ARG77 | |
D | ARG317 | |
E | ARG52 | |
E | ARG77 | |
E | ARG218 | |
E | LYS315 | |
E | ARG317 | |
F | ARG52 | |
F | ARG77 | |
F | ARG218 | |
F | LYS315 | |
A | ARG218 | |
F | ARG317 | |
A | LYS315 | |
A | ARG317 | |
B | ARG52 | |
B | ARG77 | |
B | ARG218 | |
B | LYS315 |
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 |