3W7P
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-4-031
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004152 | molecular_function | dihydroorotate dehydrogenase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| A | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| A | 0006222 | biological_process | UMP biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016627 | molecular_function | oxidoreductase activity, acting on the CH-CH group of donors |
| A | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| A | 1990663 | molecular_function | dihydroorotate dehydrogenase (fumarate) activity |
| B | 0004152 | molecular_function | dihydroorotate dehydrogenase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| B | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| B | 0006222 | biological_process | UMP biosynthetic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016627 | molecular_function | oxidoreductase activity, acting on the CH-CH group of donors |
| B | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| B | 1990663 | molecular_function | dihydroorotate dehydrogenase (fumarate) activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE W7P A 401 |
| Chain | Residue |
| A | LYS43 |
| A | PRO131 |
| A | ASN194 |
| A | SER195 |
| A | LYS214 |
| A | GOL409 |
| A | FMN416 |
| A | HOH764 |
| A | HOH795 |
| A | HOH796 |
| A | ASN53 |
| A | ASN67 |
| A | MET69 |
| A | GLY70 |
| A | LEU71 |
| A | ASN127 |
| A | SER129 |
| A | CYS130 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 402 |
| Chain | Residue |
| A | CYS31 |
| A | ALA34 |
| A | SER35 |
| A | PRO279 |
| A | HOH531 |
| B | CYS31 |
| B | ALA34 |
| B | SER35 |
| B | HOH656 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 403 |
| Chain | Residue |
| A | ILE171 |
| A | ARG239 |
| A | HOH596 |
| A | HOH757 |
| B | LYS214 |
| B | PHE217 |
| B | GOL414 |
| B | HOH834 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 404 |
| Chain | Residue |
| A | LYS214 |
| A | PHE217 |
| A | GOL411 |
| A | HOH554 |
| A | HOH588 |
| A | HOH791 |
| B | ILE171 |
| B | ARG239 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 405 |
| Chain | Residue |
| A | TYR237 |
| A | PRO241 |
| A | GOL407 |
| A | HOH572 |
| A | HOH670 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 406 |
| Chain | Residue |
| A | TYR58 |
| A | MET69 |
| A | HOH539 |
| A | HOH623 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 407 |
| Chain | Residue |
| A | ARG238 |
| A | GOL405 |
| A | HOH670 |
| A | HOH671 |
| B | GLU104 |
| B | GOL414 |
| B | HOH758 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 408 |
| Chain | Residue |
| A | PHE61 |
| A | ILE202 |
| A | ASP203 |
| A | HOH578 |
| A | HOH665 |
| A | HOH681 |
| site_id | AC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 409 |
| Chain | Residue |
| A | SER129 |
| A | PRO166 |
| A | ASN194 |
| A | SER195 |
| A | GLY197 |
| A | GLY219 |
| A | W7P401 |
| A | HOH529 |
| A | HOH764 |
| A | HOH793 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 410 |
| Chain | Residue |
| A | SER206 |
| A | SER208 |
| A | VAL209 |
| A | VAL210 |
| A | HOH576 |
| A | HOH681 |
| B | ILE311 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 411 |
| Chain | Residue |
| A | GLN215 |
| A | GOL404 |
| A | HOH812 |
| A | HOH832 |
| B | ARG238 |
| site_id | BC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 412 |
| Chain | Residue |
| A | VAL10 |
| A | TYR89 |
| A | SER90 |
| A | LYS91 |
| A | PRO93 |
| A | HOH550 |
| A | HOH573 |
| A | HOH654 |
| A | HOH706 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 413 |
| Chain | Residue |
| B | GLU27 |
| A | GLU277 |
| A | ARG284 |
| A | HOH676 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 414 |
| Chain | Residue |
| A | HIS9 |
| A | ALA117 |
| A | GLN118 |
| A | GLY121 |
| A | GOL415 |
| A | HOH580 |
| A | HOH741 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 415 |
| Chain | Residue |
| A | GLN118 |
| A | GLU119 |
| A | GLY121 |
| A | GOL414 |
| A | HOH718 |
| A | HOH882 |
| site_id | BC7 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE FMN A 416 |
| Chain | Residue |
| A | ALA18 |
| A | ALA19 |
| A | GLY20 |
| A | LYS43 |
| A | SER44 |
| A | ASN67 |
| A | ASN127 |
| A | LYS164 |
| A | VAL193 |
| A | ASN194 |
| A | GLY221 |
| A | GLY222 |
| A | ILE225 |
| A | CYS248 |
| A | GLY249 |
| A | GLY250 |
| A | GLY271 |
| A | THR272 |
| A | W7P401 |
| A | HOH509 |
| A | HOH517 |
| A | HOH527 |
| A | HOH758 |
| site_id | BC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NCO A 417 |
| Chain | Residue |
| A | GLN275 |
| A | GLU276 |
| A | GLY278 |
| A | HOH728 |
| B | GLN275 |
| B | GLU276 |
| B | GLY278 |
| site_id | BC9 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE W7P B 401 |
| Chain | Residue |
| B | LYS43 |
| B | ASN67 |
| B | MET69 |
| B | GLY70 |
| B | LEU71 |
| B | ASN127 |
| B | SER129 |
| B | ASN194 |
| B | SER195 |
| B | LYS214 |
| B | GOL402 |
| B | FMN415 |
| B | HOH745 |
| B | HOH764 |
| B | HOH791 |
| site_id | CC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 402 |
| Chain | Residue |
| B | SER129 |
| B | GLN138 |
| B | PRO166 |
| B | ASN194 |
| B | SER195 |
| B | W7P401 |
| B | HOH514 |
| B | HOH519 |
| B | HOH745 |
| site_id | CC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL B 403 |
| Chain | Residue |
| B | TYR237 |
| B | PRO241 |
| B | GOL413 |
| site_id | CC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL B 404 |
| Chain | Residue |
| B | ASN182 |
| B | HOH579 |
| B | HOH742 |
| site_id | CC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 405 |
| Chain | Residue |
| B | HIS9 |
| B | TYR89 |
| B | LYS92 |
| B | PRO93 |
| B | LYS120 |
| B | GLY121 |
| B | GOL409 |
| B | HOH510 |
| B | HOH697 |
| site_id | CC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 406 |
| Chain | Residue |
| B | PHE61 |
| B | ASP203 |
| B | HOH604 |
| B | HOH682 |
| B | HOH685 |
| site_id | CC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 407 |
| Chain | Residue |
| A | ILE311 |
| B | ASP203 |
| B | SER206 |
| B | SER208 |
| B | VAL209 |
| B | VAL210 |
| B | HOH625 |
| B | HOH682 |
| site_id | CC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL B 408 |
| Chain | Residue |
| B | TYR58 |
| B | HOH676 |
| site_id | CC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B 409 |
| Chain | Residue |
| A | GLU302 |
| A | HOH864 |
| B | HIS9 |
| B | VAL10 |
| B | TYR89 |
| B | LYS92 |
| B | PRO93 |
| B | GOL405 |
| B | HOH512 |
| B | HOH759 |
| site_id | CC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 410 |
| Chain | Residue |
| A | GLU312 |
| B | PRO54 |
| B | LYS212 |
| B | PRO213 |
| B | LYS214 |
| B | HOH753 |
| B | HOH794 |
| site_id | DC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL B 411 |
| Chain | Residue |
| A | ASN5 |
| A | VAL10 |
| B | LEU4 |
| B | ASN5 |
| B | LEU6 |
| B | GLU302 |
| B | ARG305 |
| B | HOH637 |
| B | HOH773 |
| B | HOH796 |
| B | HOH798 |
| site_id | DC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B 412 |
| Chain | Residue |
| B | PHE78 |
| B | LYS81 |
| B | HOH621 |
| B | HOH709 |
| site_id | DC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL B 413 |
| Chain | Residue |
| A | ASP8 |
| B | GOL403 |
| site_id | DC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 414 |
| Chain | Residue |
| A | ARG238 |
| A | ARG239 |
| A | GOL403 |
| A | GOL407 |
| B | VAL107 |
| B | ARG111 |
| B | GLN215 |
| site_id | DC5 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE FMN B 415 |
| Chain | Residue |
| B | ALA18 |
| B | ALA19 |
| B | GLY20 |
| B | LYS43 |
| B | SER44 |
| B | ASN67 |
| B | ASN127 |
| B | LYS164 |
| B | VAL193 |
| B | ASN194 |
| B | GLY221 |
| B | GLY222 |
| B | ILE225 |
| B | CYS248 |
| B | GLY249 |
| B | GLY250 |
| B | GLY271 |
| B | THR272 |
| B | W7P401 |
| B | HOH505 |
| B | HOH516 |
| B | HOH522 |
| B | HOH743 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Nucleophile => ECO:0000250 |
| Chain | Residue | Details |
| A | CYS130 | |
| B | CYS130 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:18302934 |
| Chain | Residue | Details |
| A | VAL193 | |
| A | GLY222 | |
| A | GLY249 | |
| A | GLY271 | |
| B | ALA19 | |
| B | LYS164 | |
| B | VAL193 | |
| B | GLY222 | |
| B | GLY249 | |
| B | GLY271 | |
| A | ALA19 | |
| A | LYS164 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 10 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ASN194 | |
| B | LYS43 | |
| B | ASN67 | |
| B | ASN127 | |
| B | ASN132 | |
| B | ASN194 | |
| A | LYS43 | |
| A | ASN67 | |
| A | ASN127 | |
| A | ASN132 |
