2FPT
Dual Binding Mode of a Novel Series of DHODH inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Dihydroorotate dehydrogenase, mitochondrial | polymer | 395 | 43222.1 | 1 | UniProt (Q02127) Pfam (PF01180) | Homo sapiens (human) | Dihydroorotate oxidase, DHOdehase |
| 2 | B, D, E, F (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 3 | C (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 4 | G (A) | FLAVIN MONONUCLEOTIDE | non-polymer | 456.3 | 1 | Chemie (FMN) | |||
| 5 | H (A) | OROTIC ACID | non-polymer | 156.1 | 1 | Chemie (ORO) | |||
| 6 | I (A) | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | non-polymer | 427.3 | 1 | Chemie (ILB) | |||
| 7 | J (A) | water | water | 18.0 | 250 | Chemie (HOH) |
Sequence modifications
A: 30 - 396 (UniProt: Q02127)
| PDB | External Database | Details |
|---|---|---|
| Met 2 | - | cloning artifact |
| Gly 3 | - | cloning artifact |
| His 4 | - | expression tag |
| His 5 | - | expression tag |
| His 6 | - | expression tag |
| His 7 | - | expression tag |
| His 8 | - | expression tag |
| His 9 | - | expression tag |
| His 10 | - | expression tag |
| His 11 | - | expression tag |
| His 12 | - | expression tag |
| His 13 | - | expression tag |
| Ser 14 | - | cloning artifact |
| Ser 15 | - | cloning artifact |
| Gly 16 | - | cloning artifact |
| His 17 | - | cloning artifact |
| Ile 18 | - | cloning artifact |
| Asp 19 | - | cloning artifact |
| Asp 20 | - | cloning artifact |
| Asp 21 | - | cloning artifact |
| Asp 22 | - | cloning artifact |
| Lys 23 | - | cloning artifact |
| His 24 | - | cloning artifact |
| Met 25 | - | cloning artifact |
| Leu 26 | - | cloning artifact |
| Glu 27 | - | cloning artifact |
| Asp 28 | - | cloning artifact |
| Pro 29 | - | cloning artifact |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 43222.1 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1483.1 | |
| All* | Total formula weight | 44705.1 |
