3W2K
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-165
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004152 | molecular_function | dihydroorotate dehydrogenase activity |
| A | 0005737 | cellular_component | cytoplasm |
| 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 | 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 | 13 |
| Details | BINDING SITE FOR RESIDUE KRO A 401 |
| Chain | Residue |
| A | LYS43 |
| A | ASN194 |
| A | SER195 |
| A | GOL405 |
| A | FMN413 |
| A | ASN67 |
| A | MET69 |
| A | GLY70 |
| A | LEU71 |
| A | LEU101 |
| A | ASN127 |
| A | SER129 |
| A | PRO131 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 402 |
| Chain | Residue |
| A | CYS31 |
| A | ALA34 |
| A | HOH532 |
| B | CYS31 |
| B | ALA34 |
| B | SER35 |
| B | PRO279 |
| B | HOH669 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 403 |
| Chain | Residue |
| A | ILE171 |
| A | ARG239 |
| A | HOH598 |
| A | HOH792 |
| A | HOH825 |
| B | LYS214 |
| B | PHE217 |
| B | GOL409 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A 404 |
| Chain | Residue |
| A | TYR237 |
| A | PRO241 |
| A | HOH572 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 405 |
| Chain | Residue |
| A | GLN138 |
| A | PRO166 |
| A | ASN194 |
| A | SER195 |
| A | GLY197 |
| A | KRO401 |
| A | HOH511 |
| A | HOH522 |
| A | HOH530 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 406 |
| Chain | Residue |
| A | LEU4 |
| A | ASN5 |
| A | GLU302 |
| A | ARG305 |
| A | HOH770 |
| A | HOH851 |
| B | LYS3 |
| B | ASN5 |
| B | VAL10 |
| B | HOH791 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 407 |
| Chain | Residue |
| A | PHE61 |
| A | ASP203 |
| A | HOH580 |
| A | HOH681 |
| A | HOH700 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 408 |
| Chain | Residue |
| A | TYR58 |
| A | HOH540 |
| A | HOH628 |
| A | HOH653 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 409 |
| Chain | Residue |
| A | ARG299 |
| A | THR300 |
| B | CYS1 |
| B | LEU2 |
| B | LYS3 |
| B | ALA12 |
| B | HOH576 |
| B | HOH748 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 410 |
| Chain | Residue |
| A | PHE61 |
| A | PRO62 |
| A | GLU276 |
| A | HOH697 |
| A | HOH836 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 411 |
| Chain | Residue |
| A | TYR141 |
| A | PHE143 |
| A | HIS173 |
| A | HOH587 |
| A | HOH613 |
| A | HOH755 |
| B | HIS173 |
| B | GOL412 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 412 |
| Chain | Residue |
| A | ASP175 |
| A | THR176 |
| A | HOH552 |
| A | HOH754 |
| B | ARG112 |
| B | HOH825 |
| site_id | BC4 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE FMN A 413 |
| Chain | Residue |
| A | CYS248 |
| A | GLY249 |
| A | GLY250 |
| A | GLY271 |
| A | THR272 |
| A | KRO401 |
| A | HOH508 |
| A | HOH517 |
| A | HOH528 |
| A | HOH793 |
| A | ALA18 |
| A | ALA19 |
| A | GLY20 |
| A | LYS43 |
| A | SER44 |
| A | ASN67 |
| A | ASN127 |
| A | LYS164 |
| A | VAL193 |
| A | ASN194 |
| A | GLY222 |
| A | ILE225 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NCO A 414 |
| Chain | Residue |
| A | GLN275 |
| A | GLU276 |
| A | GLY278 |
| A | HOH761 |
| B | GLN275 |
| B | GLU276 |
| B | GLY278 |
| site_id | BC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE KRO B 401 |
| Chain | Residue |
| B | LYS43 |
| B | ASN67 |
| B | MET69 |
| B | GLY70 |
| B | LEU71 |
| B | ASN127 |
| B | SER129 |
| B | ASN194 |
| B | SER195 |
| B | GOL403 |
| B | FMN413 |
| B | HOH788 |
| B | HOH802 |
| B | HOH834 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 402 |
| Chain | Residue |
| A | LYS214 |
| A | PHE217 |
| A | HOH542 |
| B | ILE171 |
| B | ARG239 |
| B | HOH559 |
| site_id | BC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 403 |
| Chain | Residue |
| B | SER129 |
| B | GLN138 |
| B | PRO166 |
| B | ASN194 |
| B | SER195 |
| B | GLY197 |
| B | KRO401 |
| B | HOH516 |
| B | HOH521 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 404 |
| Chain | Residue |
| B | TYR237 |
| B | ARG238 |
| B | PRO241 |
| B | HOH540 |
| B | HOH719 |
| site_id | CC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 405 |
| Chain | Residue |
| A | SER47 |
| B | ASN182 |
| B | PRO241 |
| B | HOH589 |
| B | HOH720 |
| B | HOH785 |
| site_id | CC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 406 |
| Chain | Residue |
| B | PHE61 |
| B | VAL201 |
| B | ASP203 |
| B | HOH615 |
| B | HOH705 |
| B | HOH707 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 407 |
| Chain | Residue |
| B | SER206 |
| B | SER208 |
| B | VAL209 |
| B | VAL210 |
| B | HOH638 |
| B | HOH705 |
| site_id | CC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 408 |
| Chain | Residue |
| B | VAL10 |
| B | TYR89 |
| B | SER90 |
| B | LYS91 |
| B | PRO93 |
| B | GOL410 |
| B | HOH514 |
| B | HOH758 |
| site_id | CC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 409 |
| Chain | Residue |
| A | ARG238 |
| A | GOL403 |
| B | GLN215 |
| B | HOH570 |
| B | HOH659 |
| B | HOH798 |
| site_id | CC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 410 |
| Chain | Residue |
| B | HIS9 |
| B | TYR89 |
| B | LYS92 |
| B | PRO93 |
| B | LYS120 |
| B | GLY121 |
| B | GOL408 |
| B | HOH725 |
| B | HOH772 |
| site_id | CC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 411 |
| Chain | Residue |
| B | TYR58 |
| B | MET69 |
| B | GLN275 |
| B | HOH581 |
| B | HOH608 |
| B | HOH651 |
| B | HOH693 |
| site_id | CC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 412 |
| Chain | Residue |
| A | HIS173 |
| A | GOL411 |
| A | HOH657 |
| B | TYR141 |
| B | PHE143 |
| B | HIS173 |
| B | HOH616 |
| B | HOH726 |
| B | HOH727 |
| site_id | CC9 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE FMN B 413 |
| 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 | CYS248 |
| B | GLY249 |
| B | GLY250 |
| B | GLY271 |
| B | THR272 |
| B | KRO401 |
| B | HOH507 |
| B | HOH519 |
| B | HOH524 |
| B | HOH786 |
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 | ALA19 | |
| B | GLY222 | |
| B | GLY249 | |
| B | GLY271 | |
| A | LYS164 | |
| A | VAL193 | |
| A | GLY222 | |
| A | GLY249 | |
| A | GLY271 | |
| B | ALA19 | |
| B | LYS164 | |
| B | VAL193 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 10 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | LYS43 | |
| B | ASN194 | |
| A | ASN67 | |
| A | ASN127 | |
| A | ASN132 | |
| A | ASN194 | |
| B | LYS43 | |
| B | ASN67 | |
| B | ASN127 | |
| B | ASN132 |
