6CJF
Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43
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 |
| B | 0004151 | molecular_function | dihydroorotase activity |
| B | 0004152 | molecular_function | dihydroorotate dehydrogenase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005654 | cellular_component | nucleoplasm |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005743 | cellular_component | mitochondrial inner membrane |
| B | 0005829 | cellular_component | cytosol |
| B | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| B | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| B | 0006225 | biological_process | UDP biosynthetic process |
| B | 0009220 | biological_process | pyrimidine ribonucleotide biosynthetic process |
| B | 0016020 | cellular_component | membrane |
| 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 | 0106430 | molecular_function | dihydroorotate dehydrogenase (quinone) activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 25 |
| Details | binding site for residue FMN A 501 |
| Chain | Residue |
| A | ALA95 |
| A | THR283 |
| A | ASN284 |
| A | THR285 |
| A | SER305 |
| A | GLY306 |
| A | LEU309 |
| A | VAL333 |
| A | GLY334 |
| A | GLY335 |
| A | LEU355 |
| A | ALA96 |
| A | TYR356 |
| A | THR357 |
| A | ORO502 |
| A | HOH615 |
| A | HOH620 |
| A | HOH675 |
| A | GLY97 |
| A | LYS100 |
| A | SER120 |
| A | ASN145 |
| A | ASN181 |
| A | ASN212 |
| A | LYS255 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue ORO A 502 |
| Chain | Residue |
| A | LYS100 |
| A | ASN145 |
| A | TYR147 |
| A | GLY148 |
| A | PHE149 |
| A | ASN212 |
| A | ASN284 |
| A | THR285 |
| A | FMN501 |
| site_id | AC3 |
| Number of Residues | 18 |
| Details | binding site for residue F54 A 503 |
| Chain | Residue |
| A | TYR38 |
| A | MET43 |
| A | LEU46 |
| A | GLN47 |
| A | PRO52 |
| A | ALA55 |
| A | HIS56 |
| A | ALA59 |
| A | PHE62 |
| A | THR63 |
| A | LEU67 |
| A | VAL134 |
| A | ARG136 |
| A | TYR356 |
| A | THR360 |
| A | PRO364 |
| A | ZWI504 |
| A | HOH610 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue ZWI A 504 |
| Chain | Residue |
| A | TYR38 |
| A | PHE62 |
| A | F54503 |
| site_id | AC5 |
| Number of Residues | 25 |
| Details | binding site for residue FMN B 501 |
| Chain | Residue |
| B | ALA95 |
| B | ALA96 |
| B | GLY97 |
| B | LYS100 |
| B | SER120 |
| B | ASN145 |
| B | ASN181 |
| B | ASN212 |
| B | LYS255 |
| B | THR283 |
| B | ASN284 |
| B | THR285 |
| B | SER305 |
| B | GLY306 |
| B | LEU309 |
| B | VAL333 |
| B | GLY334 |
| B | GLY335 |
| B | LEU355 |
| B | TYR356 |
| B | THR357 |
| B | ORO502 |
| B | HOH627 |
| B | HOH628 |
| B | HOH673 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | binding site for residue ORO B 502 |
| Chain | Residue |
| B | LYS100 |
| B | ASN145 |
| B | TYR147 |
| B | GLY148 |
| B | PHE149 |
| B | ASN212 |
| B | ASN284 |
| B | THR285 |
| B | FMN501 |
| site_id | AC7 |
| Number of Residues | 19 |
| Details | binding site for residue F54 B 503 |
| Chain | Residue |
| B | LEU68 |
| B | VAL134 |
| B | ARG136 |
| B | TYR356 |
| B | THR360 |
| B | PRO364 |
| B | ZWI504 |
| B | HOH620 |
| B | HOH732 |
| B | TYR38 |
| B | MET43 |
| B | LEU46 |
| B | GLN47 |
| B | PRO52 |
| B | ALA55 |
| B | HIS56 |
| B | ALA59 |
| B | PHE62 |
| B | THR63 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue ZWI B 504 |
| Chain | Residue |
| B | PHE62 |
| B | F54503 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue ZWI B 505 |
| Chain | Residue |
| B | LEU84 |
| B | GLY85 |
| B | ARG241 |
| B | ARG249 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Nucleophile |
| Chain | Residue | Details |
| A | SER215 | |
| B | SER215 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 18 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10673429, ECO:0000269|PubMed:16480261 |
| Chain | Residue | Details |
| A | ALA96 | |
| B | ALA96 | |
| B | SER120 | |
| B | ASN181 | |
| B | ASN212 | |
| B | LYS255 | |
| B | THR283 | |
| B | GLY306 | |
| B | GLY335 | |
| B | TYR356 | |
| A | SER120 | |
| A | ASN181 | |
| A | ASN212 | |
| A | LYS255 | |
| A | THR283 | |
| A | GLY306 | |
| A | GLY335 | |
| A | TYR356 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | LYS100 | |
| A | ASN145 | |
| A | ASN284 | |
| B | LYS100 | |
| B | ASN145 | |
| B | 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 |
| site_id | MCSA2 |
| Number of Residues | 7 |
| Details | M-CSA 109 |
| Chain | Residue | Details |
| B | ASN145 | electrostatic stabiliser |
| B | PHE149 | activator, electrostatic stabiliser, enhance reactivity, polar/non-polar interaction |
| B | SER215 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor, proton relay |
| B | ASN217 | electrostatic stabiliser |
| B | THR218 | activator, electrostatic stabiliser, enhance reactivity, hydrogen bond acceptor |
| B | LYS255 | electrostatic stabiliser, hydrogen bond donor |
| B | ASN284 | electrostatic stabiliser |
