7QY2
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 2
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Furin | polymer | 480 | 52112.3 | 1 | UniProt (P09958) Pfam (PF00082) Pfam (PF01483) | Homo sapiens (human) | Dibasic-processing enzyme,Paired basic amino acid residue-cleaving enzyme,PACE |
| 2 | B (A) | (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate | non-polymer | 671.6 | 1 | Chemie (I0Q) | |||
| 3 | C, D, E (A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 4 | F, G, H, I (A) | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
| 5 | J (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | K, L, M, N, O... (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 6 | Chemie (DMS) | |||
| 7 | Q (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 8 | R (A) | water | water | 18.0 | 461 | Chemie (HOH) |
Sequence modifications
A: 108 - 574 (UniProt: P09958)
| PDB | External Database | Details |
|---|---|---|
| Ser 575 | - | expression tag |
| Gly 576 | - | expression tag |
| Ser 577 | - | expression tag |
| Leu 578 | - | expression tag |
| Val 579 | - | expression tag |
| Pro 580 | - | expression tag |
| Arg 581 | - | expression tag |
| Gly 582 | - | expression tag |
| Ser 583 | - | expression tag |
| His 584 | - | expression tag |
| His 585 | - | expression tag |
| His 586 | - | expression tag |
| His 587 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 52112.3 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 1609.3 | |
| All* | Total formula weight | 53721.6 |
