3WSB
The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole
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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE FPS A 501 |
| Chain | Residue |
| A | SER42 |
| A | TYR270 |
| A | SER283 |
| A | RWZ502 |
| A | HOH643 |
| A | SER44 |
| A | PHE45 |
| A | ALA168 |
| A | VAL171 |
| A | GLY172 |
| A | LEU175 |
| A | TYR179 |
| A | LEU203 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE RWZ A 502 |
| Chain | Residue |
| A | PHE45 |
| A | PHE63 |
| A | TYR64 |
| A | ASP71 |
| A | VAL167 |
| A | VAL171 |
| A | GLN204 |
| A | FPS501 |
| site_id | AC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE FPS B 401 |
| Chain | Residue |
| B | SER42 |
| B | SER44 |
| B | PHE45 |
| B | ALA168 |
| B | VAL171 |
| B | GLY172 |
| B | LEU175 |
| B | TYR179 |
| B | MET199 |
| B | LEU203 |
| B | TYR270 |
| B | RWZ402 |
| B | HOH562 |
| B | HOH607 |
| B | HOH623 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE RWZ B 402 |
| Chain | Residue |
| B | PHE45 |
| B | PHE63 |
| B | TYR64 |
| B | VAL167 |
| B | VAL171 |
| B | GLN204 |
| B | FPS401 |
| site_id | AC5 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE FPS C 401 |
| Chain | Residue |
| C | SER42 |
| C | SER44 |
| C | PHE45 |
| C | ALA168 |
| C | VAL171 |
| C | GLY172 |
| C | LEU175 |
| C | TYR179 |
| C | MET199 |
| C | LEU203 |
| C | TYR270 |
| C | RWZ402 |
| C | HOH511 |
| C | HOH518 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE RWZ C 402 |
| Chain | Residue |
| C | PHE45 |
| C | VAL60 |
| C | PHE63 |
| C | TYR64 |
| C | ASP71 |
| C | VAL167 |
| C | VAL171 |
| C | GLN204 |
| C | FPS401 |
| site_id | AC7 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE FPS D 401 |
| Chain | Residue |
| D | SER42 |
| D | SER44 |
| D | PHE45 |
| D | VAL171 |
| D | GLY172 |
| D | LEU175 |
| D | TYR179 |
| D | MET199 |
| D | LEU203 |
| D | TYR270 |
| D | SER283 |
| D | RWZ402 |
| D | HOH509 |
| D | HOH550 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE RWZ D 402 |
| Chain | Residue |
| D | PHE45 |
| D | PHE63 |
| D | TYR64 |
| D | ASP71 |
| D | VAL167 |
| D | VAL171 |
| D | GLN204 |
| D | ASN207 |
| D | FPS401 |
Functional Information from PROSITE/UniProt
| site_id | PS01044 |
| Number of Residues | 16 |
| Details | SQUALEN_PHYTOEN_SYN_1 Squalene and phytoene synthases signature 1. YChyVAGLVGhgLtlL |
| Chain | Residue | Details |
| A | TYR163-LEU178 |
| site_id | PS01045 |
| Number of Residues | 28 |
| Details | SQUALEN_PHYTOEN_SYN_2 Squalene and phytoene synthases signature 2. MGlflQkt.NIiRDFyeDicevpp.RvFwP |
| Chain | Residue | Details |
| A | MET199-PRO226 |
