4HAX
Crystal structure of CRM1 inhibitor Ratjadone A in complex with CRM1(K579A)-Ran-RanBP1
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (C) | Exportin-1 | polymer | 1023 | 117340.8 | 1 | UniProt (P30822) Pfam (PF03810) Pfam (PF08389) Pfam (PF18777) Pfam (PF18784) Pfam (PF18787) Pfam (PF08767) | Saccharomyces cerevisiae (yeast) | CRM1, Chromosome region maintenance protein 1, Karyopherin-124 |
| 2 | B (A) | GTP-binding nuclear protein Ran | polymer | 216 | 24456.1 | 1 | UniProt (P62826) Pfam (PF00071) | Homo sapiens (human) | Androgen receptor-associated protein 24, GTPase Ran, Ras-like protein TC4, Ras-related nuclear protein |
| 3 | C (B) | Ran-specific GTPase-activating protein 1 | polymer | 140 | 16378.8 | 1 | UniProt (P41920) Pfam (PF00638) | Saccharomyces cerevisiae (yeast) | Chromosome stability protein 20, Perinuclear array-localized protein, Ran-binding protein 1, RANBP1 |
| 4 | D (C) | Ratjadone A, bound form | non-polymer | 476.6 | 1 | Chemie (RJA) | |||
| 5 | E, F, G (C) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 6 | H, I, O (C, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 7 | J, K, L (C) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 8 | M (A) | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | non-polymer | 522.2 | 1 | Chemie (GNP) | |||
| 9 | N (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 10 | P, Q, R (C, A, B) | water | water | 18.0 | 1044 | Chemie (HOH) |
Sequence modifications
C: 1 - 376 (UniProt: P30822)
C: 414 - 1058 (UniProt: P30822)
B: 62 - 201 (UniProt: P41920)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ala 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Cys 539 | Thr 539 | engineered mutation |
| Ala 579 | Lys 579 | engineered mutation |
| Cys 1022 | Tyr 1022 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Lys 98 | Ala 98 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 158175.7 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1592.0 | |
| All* | Total formula weight | 159767.7 |
