3W7R
Structure of Human dihydroorotate dehydrogenase in complex with mii-4-097
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004151 | molecular_function | dihydroorotase activity |
A | 0004152 | molecular_function | dihydroorotate dehydrogenase activity |
A | 0005515 | molecular_function | protein binding |
A | 0005654 | cellular_component | nucleoplasm |
A | 0005737 | cellular_component | cytoplasm |
A | 0005739 | cellular_component | mitochondrion |
A | 0005743 | cellular_component | mitochondrial inner membrane |
A | 0005829 | cellular_component | cytosol |
A | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
A | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
A | 0006225 | biological_process | UDP biosynthetic process |
A | 0009220 | biological_process | pyrimidine ribonucleotide biosynthetic process |
A | 0016020 | cellular_component | membrane |
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 | 0106430 | molecular_function | dihydroorotate dehydrogenase (quinone) activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE CL A 401 |
Chain | Residue |
A | GLN165 |
A | HIS248 |
A | ARG298 |
A | SER299 |
site_id | AC2 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE DDQ A 402 |
Chain | Residue |
A | HIS41 |
A | THR45 |
site_id | AC3 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE DDQ A 403 |
Chain | Residue |
A | DDQ404 |
site_id | AC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DDQ A 404 |
Chain | Residue |
A | LEU49 |
A | DDQ403 |
A | HOH659 |
A | GLN47 |
A | GLY48 |
site_id | AC5 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE DDQ A 405 |
Chain | Residue |
A | PHE62 |
site_id | AC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE DDQ A 406 |
Chain | Residue |
A | GLY33 |
A | PHE37 |
A | GLU40 |
A | HIS41 |
site_id | AC7 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE DDQ A 407 |
Chain | Residue |
A | LEU68 |
A | W7A408 |
A | HOH772 |
site_id | AC8 |
Number of Residues | 17 |
Details | BINDING SITE FOR RESIDUE W7A A 408 |
Chain | Residue |
A | MET43 |
A | GLN47 |
A | PRO52 |
A | ALA55 |
A | HIS56 |
A | ALA59 |
A | LEU67 |
A | LEU68 |
A | PHE98 |
A | VAL134 |
A | ARG136 |
A | TYR356 |
A | THR360 |
A | PRO364 |
A | DDQ407 |
A | FMN409 |
A | HOH691 |
site_id | AC9 |
Number of Residues | 26 |
Details | BINDING SITE FOR RESIDUE FMN A 409 |
Chain | Residue |
A | ALA95 |
A | ALA96 |
A | GLY97 |
A | LYS100 |
A | GLY119 |
A | SER120 |
A | ASN145 |
A | ASN181 |
A | ASN212 |
A | LYS255 |
A | THR283 |
A | ASN284 |
A | THR285 |
A | SER305 |
A | GLY306 |
A | LEU309 |
A | VAL333 |
A | GLY334 |
A | GLY335 |
A | LEU355 |
A | TYR356 |
A | THR357 |
A | W7A408 |
A | ORO432 |
A | HOH503 |
A | HOH529 |
site_id | BC1 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL A 410 |
Chain | Residue |
A | LYS307 |
A | THR314 |
A | GLN315 |
A | ARG318 |
A | GLU344 |
A | HOH524 |
A | HOH557 |
A | HOH779 |
site_id | BC2 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 411 |
Chain | Residue |
A | HIS159 |
A | ALA322 |
A | GLN325 |
A | HIS394 |
A | HOH537 |
A | HOH574 |
A | HOH617 |
site_id | BC3 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE GOL A 412 |
Chain | Residue |
A | SER223 |
A | ASP264 |
A | HOH674 |
site_id | BC4 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL A 413 |
Chain | Residue |
A | ARG57 |
A | HIS101 |
A | ASN150 |
A | HIS152 |
A | GOL416 |
A | HOH541 |
A | HOH645 |
A | HOH731 |
site_id | BC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL A 414 |
Chain | Residue |
A | ARG61 |
A | SER64 |
A | GLU103 |
A | ACT439 |
A | HOH668 |
A | HOH762 |
site_id | BC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL A 415 |
Chain | Residue |
A | ALA219 |
A | GLY220 |
A | ARG222 |
A | HOH791 |
site_id | BC7 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 416 |
Chain | Residue |
A | GLN126 |
A | GLU127 |
A | SER151 |
A | HIS152 |
A | GOL413 |
A | HOH535 |
A | HOH701 |
site_id | BC8 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL A 417 |
Chain | Residue |
A | GLU139 |
A | SER155 |
A | GLU158 |
A | HIS159 |
A | ARG162 |
A | GLN294 |
A | ALA296 |
A | GOL424 |
A | HOH754 |
site_id | BC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL A 418 |
Chain | Residue |
A | ARG136 |
A | PRO138 |
A | HOH575 |
A | HOH732 |
A | HOH776 |
site_id | CC1 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL A 419 |
Chain | Residue |
A | ARG241 |
A | ARG249 |
A | PRO250 |
A | ALA251 |
A | ASP278 |
A | GOL420 |
A | HOH609 |
A | HOH738 |
A | HOH796 |
A | HOH797 |
site_id | CC2 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL A 420 |
Chain | Residue |
A | HIS86 |
A | ASP207 |
A | ARG246 |
A | VAL247 |
A | ARG249 |
A | GOL419 |
A | ACT438 |
A | HOH783 |
site_id | CC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL A 421 |
Chain | Residue |
A | HIS86 |
A | LYS87 |
A | THR172 |
A | GLU173 |
A | HOH804 |
site_id | CC4 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 422 |
Chain | Residue |
A | PRO52 |
A | PRO132 |
A | VAL134 |
A | PHE135 |
A | ARG200 |
A | HOH562 |
A | HOH659 |
site_id | CC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL A 423 |
Chain | Residue |
A | MET30 |
A | THR32 |
A | GLY33 |
A | ARG72 |
A | HOH771 |
site_id | CC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL A 424 |
Chain | Residue |
A | LYS124 |
A | SER155 |
A | GLU197 |
A | GOL417 |
A | ACT437 |
A | HOH776 |
site_id | CC7 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 425 |
Chain | Residue |
A | PRO69 |
A | ALA71 |
A | MET111 |
A | PRO364 |
A | PRO365 |
A | GLY368 |
A | HOH712 |
site_id | CC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL A 426 |
Chain | Residue |
A | GLU80 |
A | ARG82 |
A | THR387 |
A | HOH673 |
site_id | CC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL A 427 |
Chain | Residue |
A | VAL272 |
A | LYS273 |
A | GLY276 |
A | ILE277 |
A | VAL328 |
site_id | DC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE GOL A 428 |
Chain | Residue |
A | LYS227 |
A | ARG231 |
A | HOH790 |
site_id | DC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL A 429 |
Chain | Residue |
A | LYS170 |
A | THR261 |
A | GLN263 |
A | HOH553 |
site_id | DC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL A 430 |
Chain | Residue |
A | MET30 |
A | ARG372 |
A | GLU373 |
A | ALA376 |
A | HOH611 |
A | HOH675 |
site_id | DC4 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL A 431 |
Chain | Residue |
A | GLN141 |
A | LYS307 |
A | SER337 |
A | ARG347 |
A | TRP362 |
A | LYS369 |
A | GLN381 |
A | HOH540 |
A | HOH608 |
A | HOH639 |
site_id | DC5 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE ORO A 432 |
Chain | Residue |
A | LYS100 |
A | ASN145 |
A | TYR147 |
A | GLY148 |
A | PHE149 |
A | ASN212 |
A | SER215 |
A | ASN217 |
A | ASN284 |
A | THR285 |
A | FMN409 |
site_id | DC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 A 433 |
Chain | Residue |
A | ARG245 |
A | HIS248 |
A | HOH723 |
site_id | DC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 A 434 |
Chain | Residue |
A | ARG160 |
A | GLN325 |
A | ACT439 |
A | HOH762 |
site_id | DC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 A 435 |
Chain | Residue |
A | ARG82 |
A | VAL83 |
A | LEU84 |
A | GLY85 |
A | ACT442 |
A | HOH570 |
site_id | DC9 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE SO4 A 436 |
Chain | Residue |
A | ARG249 |
site_id | EC1 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE ACT A 437 |
Chain | Residue |
A | GOL424 |
A | HOH516 |
site_id | EC2 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE ACT A 438 |
Chain | Residue |
A | GLN168 |
A | ALA169 |
A | THR172 |
A | LEU205 |
A | ASP207 |
A | GOL420 |
A | HOH522 |
A | HOH600 |
site_id | EC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE ACT A 439 |
Chain | Residue |
A | GLU103 |
A | ARG160 |
A | GOL414 |
A | SO4434 |
A | HOH565 |
A | HOH583 |
A | HOH799 |
site_id | EC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE ACT A 440 |
Chain | Residue |
A | SER64 |
A | GLY66 |
A | GLY107 |
A | HOH679 |
A | HOH802 |
site_id | EC5 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE ACT A 441 |
Chain | Residue |
A | HOH547 |
site_id | EC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE ACT A 442 |
Chain | Residue |
A | GLY85 |
A | HIS86 |
A | SO4435 |
site_id | EC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE ACT A 443 |
Chain | Residue |
A | GLU229 |
A | ARG232 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 364 |
Details | TOPO_DOM: Mitochondrial intermembrane => ECO:0000250 |
Chain | Residue | Details |
A | THR32-ARG396 |
site_id | SWS_FT_FI2 |
Number of Residues | 1 |
Details | ACT_SITE: Nucleophile |
Chain | Residue | Details |
A | SER215 |
site_id | SWS_FT_FI3 |
Number of Residues | 9 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10673429, ECO:0000269|PubMed:16480261 |
Chain | Residue | Details |
A | ALA96 | |
A | SER120 | |
A | ASN181 | |
A | ASN212 | |
A | LYS255 | |
A | THR283 | |
A | GLY306 | |
A | GLY335 | |
A | TYR356 |
site_id | SWS_FT_FI4 |
Number of Residues | 3 |
Details | BINDING: |
Chain | Residue | Details |
A | LYS100 | |
A | ASN145 | |
A | ASN284 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 7 |
Details | M-CSA 109 |
Chain | Residue | Details |
A | ASN145 | electrostatic stabiliser |
A | PHE149 | activator, electrostatic stabiliser, enhance reactivity, polar/non-polar interaction |
A | SER215 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor, proton relay |
A | ASN217 | electrostatic stabiliser |
A | THR218 | activator, electrostatic stabiliser, enhance reactivity, hydrogen bond acceptor |
A | LYS255 | electrostatic stabiliser, hydrogen bond donor |
A | ASN284 | electrostatic stabiliser |