5EA9
Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0130
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 | 16 |
| Details | binding site for residue 5LM A 401 |
| Chain | Residue |
| A | SER44 |
| A | ASN127 |
| A | CYS130 |
| A | ASN132 |
| A | ASN194 |
| A | SER195 |
| A | FMN409 |
| A | HOH569 |
| A | CYS45 |
| A | ASN67 |
| A | MET69 |
| A | GLY70 |
| A | LEU71 |
| A | PRO72 |
| A | ASN73 |
| A | SER99 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 402 |
| Chain | Residue |
| A | ILE171 |
| A | ARG239 |
| A | HOH599 |
| A | HOH671 |
| B | LYS214 |
| B | GLN215 |
| B | PHE217 |
| B | HOH509 |
| B | HOH608 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 403 |
| Chain | Residue |
| A | PHE61 |
| A | ASP203 |
| A | HOH562 |
| A | HOH612 |
| A | HOH669 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 404 |
| Chain | Residue |
| A | GOL408 |
| A | HOH524 |
| A | HOH543 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 405 |
| Chain | Residue |
| A | ASP175 |
| A | THR176 |
| A | HOH645 |
| B | LEU80 |
| B | ARG112 |
| B | HOH573 |
| B | HOH612 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 406 |
| Chain | Residue |
| A | LEU4 |
| A | ASN5 |
| A | GLU302 |
| A | ARG305 |
| A | HOH552 |
| A | HOH574 |
| A | HOH666 |
| B | LYS3 |
| B | ASN5 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 407 |
| Chain | Residue |
| A | TYR237 |
| A | PRO241 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 408 |
| Chain | Residue |
| A | LEU22 |
| A | ASP28 |
| A | GOL404 |
| A | HOH502 |
| A | HOH503 |
| A | HOH511 |
| A | HOH537 |
| A | HOH704 |
| site_id | AC9 |
| Number of Residues | 24 |
| Details | binding site for residue FMN A 409 |
| Chain | Residue |
| A | ALA18 |
| A | ALA19 |
| A | GLY20 |
| A | LYS43 |
| A | SER44 |
| A | ASN67 |
| A | ASN127 |
| A | LYS164 |
| A | VAL193 |
| A | ASN194 |
| A | SER195 |
| A | GLY221 |
| A | GLY222 |
| A | ILE225 |
| A | CYS248 |
| A | GLY249 |
| A | GLY250 |
| A | GLY271 |
| A | THR272 |
| A | 5LM401 |
| A | HOH522 |
| A | HOH548 |
| A | HOH553 |
| A | HOH564 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 410 |
| Chain | Residue |
| A | LEU63 |
| A | LYS223 |
| A | HOH520 |
| A | HOH531 |
| A | HOH593 |
| B | LEU63 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 411 |
| Chain | Residue |
| A | LEU74 |
| A | GLY75 |
| A | ASP77 |
| A | PHE78 |
| A | HOH518 |
| site_id | AD3 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 412 |
| Chain | Residue |
| A | HOH514 |
| A | HOH521 |
| A | HOH561 |
| A | TYR252 |
| A | ALA273 |
| A | GLU276 |
| A | GLU277 |
| A | ARG284 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 413 |
| Chain | Residue |
| A | VAL10 |
| A | PRO93 |
| A | HOH506 |
| A | HOH525 |
| B | ARG299 |
| B | THR300 |
| site_id | AD5 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 414 |
| Chain | Residue |
| A | GLY278 |
| A | PRO279 |
| A | HOH643 |
| B | GLY278 |
| B | PRO279 |
| B | NCO409 |
| B | HOH656 |
| site_id | AD6 |
| Number of Residues | 9 |
| Details | binding site for residue GOL B 402 |
| Chain | Residue |
| A | LYS214 |
| A | GLN215 |
| A | PHE217 |
| B | ILE171 |
| B | ARG238 |
| B | ARG239 |
| B | HOH543 |
| B | HOH620 |
| B | HOH699 |
| site_id | AD7 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 403 |
| Chain | Residue |
| A | HIS173 |
| B | TYR141 |
| B | TYR168 |
| B | PHE169 |
| B | HIS173 |
| B | HOH502 |
| B | HOH505 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 404 |
| Chain | Residue |
| A | ARG112 |
| B | THR176 |
| B | HOH542 |
| site_id | AD9 |
| Number of Residues | 10 |
| Details | binding site for residue GOL B 405 |
| Chain | Residue |
| A | ILE171 |
| A | ALA172 |
| A | HOH576 |
| B | PRO115 |
| B | GLY135 |
| B | PRO137 |
| B | EDO413 |
| B | HOH506 |
| B | HOH522 |
| B | HOH529 |
| site_id | AE1 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 406 |
| Chain | Residue |
| B | TYR58 |
| B | HOH508 |
| B | HOH515 |
| site_id | AE2 |
| Number of Residues | 8 |
| Details | binding site for residue GOL B 407 |
| Chain | Residue |
| A | CYS31 |
| A | ALA34 |
| A | SER35 |
| B | CYS31 |
| B | ALA34 |
| B | SER35 |
| B | HOH615 |
| B | HOH638 |
| site_id | AE3 |
| Number of Residues | 23 |
| Details | binding site for residue FMN B 408 |
| 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 | 5LM401 |
| B | HOH526 |
| B | HOH537 |
| B | HOH553 |
| B | HOH618 |
| site_id | AE4 |
| Number of Residues | 9 |
| Details | binding site for residue NCO B 409 |
| Chain | Residue |
| A | GLN275 |
| A | GLU276 |
| A | GLY278 |
| A | EDO414 |
| B | GLN275 |
| B | GLU276 |
| B | GLY278 |
| B | HOH689 |
| B | HOH692 |
| site_id | AE5 |
| Number of Residues | 2 |
| Details | binding site for residue NCO B 410 |
| Chain | Residue |
| A | ASP203 |
| B | ASP203 |
| site_id | AE6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 411 |
| Chain | Residue |
| A | HOH531 |
| B | LEU63 |
| B | LYS223 |
| B | HOH636 |
| B | HOH747 |
| site_id | AE7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 412 |
| Chain | Residue |
| B | ALA273 |
| B | GLU276 |
| B | GLU277 |
| B | ARG284 |
| B | HOH524 |
| B | HOH533 |
| B | HOH575 |
| site_id | AE8 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 413 |
| Chain | Residue |
| B | ARG111 |
| B | ALA114 |
| B | PRO115 |
| B | ALA156 |
| B | GOL405 |
| B | HOH517 |
| site_id | AE9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 414 |
| Chain | Residue |
| B | PHE61 |
| B | HOH511 |
| B | HOH605 |
| B | HOH635 |
| site_id | AF1 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 415 |
| Chain | Residue |
| B | THR25 |
| B | LEU74 |
| B | HOH504 |
| B | HOH528 |
| B | HOH550 |
| B | HOH591 |
| B | HOH599 |
| site_id | AF2 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 416 |
| Chain | Residue |
| B | ARG30 |
| B | THR33 |
| B | TYR82 |
| B | HIS87 |
| B | ASP88 |
| B | HOH597 |
| site_id | AF3 |
| Number of Residues | 21 |
| Details | binding site for Di-peptide 5LM B 401 and CYS B 130 |
| Chain | Residue |
| B | SER44 |
| B | CYS45 |
| B | THR46 |
| B | ASN67 |
| B | MET69 |
| B | GLY70 |
| B | LEU71 |
| B | PRO72 |
| B | ASN73 |
| B | SER99 |
| B | ASN127 |
| B | SER129 |
| B | PRO131 |
| B | ASN132 |
| B | GLN138 |
| B | ASN194 |
| B | SER195 |
| B | FMN408 |
| B | HOH551 |
| B | HOH559 |
| B | HOH627 |
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 |
