5K7K
Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cytochrome P450 2C9 | polymer | 477 | 54322.9 | 1 | UniProt (P11712) Pfam (PF00067) | Homo sapiens (Human) | (R)-limonene 6-monooxygenase,(S)-limonene 6-monooxygenase,(S)-limonene 7-monooxygenase,CYPIIC9,Cholesterol 25-hydroxylase,Cytochrome P-450MP,Cytochrome P450 MP-4,Cytochrome P450 MP-8,Cytochrome P450 PB-1,S-mephenytoin 4-hydroxylase |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide | non-polymer | 457.9 | 1 | Chemie (6RJ) | |||
| 4 | D (A) | water | water | 18.0 | 37 | Chemie (HOH) |
Sequence modifications
A: 23 - 489 (UniProt: P11712)
| PDB | External Database | Details |
|---|---|---|
| Met 18 | - | expression tag |
| Ala 19 | - | expression tag |
| Lys 20 | - | expression tag |
| Lys 21 | - | expression tag |
| Thr 22 | - | expression tag |
| Ile 490 | - | expression tag |
| His 491 | - | expression tag |
| His 492 | - | expression tag |
| His 493 | - | expression tag |
| His 494 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 54322.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1074.4 | |
| All* | Total formula weight | 55397.3 |
