3VJC
Crystal structure of the human squalene synthase in complex with zaragozic acid A
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 | 21 |
Details | BINDING SITE FOR RESIDUE ZGA A 400 |
Chain | Residue |
A | THR50 |
A | VAL175 |
A | ALA296 |
A | HOH474 |
A | HOH475 |
A | HOH501 |
A | HOH932 |
A | HOH935 |
A | HOH1109 |
A | HOH1110 |
A | HOH1797 |
A | SER51 |
A | HOH1825 |
B | VAL322 |
A | ARG52 |
A | SER53 |
A | PHE54 |
A | TYR73 |
A | ARG77 |
A | ASP80 |
A | LYS117 |
site_id | AC2 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE PO4 A 401 |
Chain | Residue |
A | ARG149 |
A | HIS173 |
A | TYR174 |
A | HOH545 |
A | HOH547 |
A | HOH1173 |
A | HOH1785 |
A | HOH1788 |
site_id | AC3 |
Number of Residues | 19 |
Details | BINDING SITE FOR RESIDUE ZGA B 400 |
Chain | Residue |
B | THR50 |
B | SER51 |
B | ARG52 |
B | SER53 |
B | PHE54 |
B | TYR73 |
B | ARG77 |
B | ASP80 |
B | LYS117 |
B | MET150 |
B | VAL175 |
B | VAL179 |
B | ASN215 |
B | ARG218 |
B | HOH692 |
B | HOH999 |
B | HOH1323 |
B | HOH1633 |
B | HOH1670 |
site_id | AC4 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE PO4 B 401 |
Chain | Residue |
B | ARG149 |
B | HIS173 |
B | TYR174 |
B | HOH721 |
B | HOH722 |
B | HOH723 |
B | HOH724 |
B | HOH1385 |
B | HOH1816 |
site_id | AC5 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE MG B 402 |
Chain | Residue |
B | GLU191 |
site_id | AC6 |
Number of Residues | 26 |
Details | BINDING SITE FOR RESIDUE ZGA C 400 |
Chain | Residue |
C | THR50 |
C | SER51 |
C | ARG52 |
C | SER53 |
C | PHE54 |
C | TYR73 |
C | ARG77 |
C | ASP80 |
C | LYS117 |
C | MET150 |
C | VAL175 |
C | VAL179 |
C | LEU211 |
C | THR214 |
C | ASN215 |
C | ARG218 |
C | PRO292 |
C | ALA296 |
C | THR299 |
C | HOH786 |
C | HOH787 |
C | HOH1029 |
C | HOH1429 |
C | HOH1431 |
C | HOH1698 |
C | HOH1708 |
site_id | AC7 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE PO4 C 401 |
Chain | Residue |
C | ARG149 |
C | HIS173 |
C | TYR174 |
C | HOH825 |
C | HOH826 |
C | HOH837 |
C | HOH1482 |
C | HOH1483 |
C | HOH1790 |
site_id | AC8 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE ZGA D 400 |
Chain | Residue |
D | ARG77 |
D | ASP80 |
D | LYS117 |
D | MET150 |
D | VAL175 |
D | VAL179 |
D | LEU211 |
D | THR214 |
D | ASN215 |
D | ARG218 |
D | PRO292 |
D | MET295 |
D | HOH1531 |
D | HOH1534 |
D | HOH1692 |
D | THR50 |
D | SER51 |
D | ARG52 |
D | SER53 |
D | PHE54 |
D | TYR73 |
site_id | AC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE PO4 D 401 |
Chain | Residue |
D | ARG149 |
D | HIS173 |
D | TYR174 |
D | HOH1551 |
D | HOH1637 |
D | HOH1672 |
site_id | BC1 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE MG D 402 |
Chain | Residue |
D | GLU191 |
site_id | BC2 |
Number of Residues | 16 |
Details | BINDING SITE FOR RESIDUE ZGA E 400 |
Chain | Residue |
E | THR50 |
E | SER51 |
E | ARG52 |
E | SER53 |
E | PHE54 |
E | TYR73 |
E | ARG77 |
E | MET150 |
E | VAL175 |
E | VAL179 |
E | ASN215 |
E | ARG218 |
E | ALA296 |
E | HOH903 |
E | HOH1602 |
E | HOH1603 |
site_id | BC3 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE PO4 E 401 |
Chain | Residue |
E | ARG149 |
E | HIS173 |
E | TYR174 |
E | HOH1082 |
E | HOH1366 |
E | HOH1367 |
E | HOH1368 |
E | HOH1777 |
site_id | BC4 |
Number of Residues | 14 |
Details | BINDING SITE FOR RESIDUE ZGA F 400 |
Chain | Residue |
F | THR50 |
F | SER51 |
F | ARG52 |
F | SER53 |
F | PHE54 |
F | TYR73 |
F | ARG77 |
F | VAL175 |
F | LEU211 |
F | ASN215 |
F | ARG218 |
F | THR299 |
F | HOH1744 |
F | HOH1766 |
site_id | BC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE PO4 F 401 |
Chain | Residue |
F | ARG149 |
F | HIS173 |
F | TYR174 |
F | HOH1621 |
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 |
D | LYS315 | |
D | ARG317 | |
E | ARG52 | |
E | ARG77 | |
E | ARG218 | |
E | LYS315 | |
E | ARG317 | |
F | ARG52 | |
F | ARG77 | |
F | ARG218 | |
F | LYS315 | |
F | ARG317 | |
D | ARG218 | |
A | ARG52 | |
A | ARG77 | |
A | ARG218 | |
A | LYS315 | |
A | ARG317 | |
B | ARG52 | |
B | ARG77 | |
B | ARG218 | |
B | LYS315 | |
B | ARG317 | |
C | ARG52 | |
C | ARG77 | |
C | ARG218 | |
C | LYS315 | |
C | ARG317 | |
D | ARG52 | |
D | ARG77 |
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 |
E | ASP80 | |
E | GLU83 | |
E | ASP84 | |
F | ASP80 | |
F | GLU83 | |
F | ASP84 | |
A | ASP80 | |
A | GLU83 | |
A | ASP84 | |
B | ASP80 | |
B | GLU83 | |
B | ASP84 | |
C | ASP80 | |
C | GLU83 | |
C | ASP84 | |
D | ASP80 | |
D | GLU83 | |
D | 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 |