6H9B
1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, C) | Tubulin alpha chain | polymer | 433 | 48336.6 | 2 | Pfam (PF00091) Pfam (PF03953) UniProt (by SIFTS) (D0VWZ0) | Ovis aries | |
| 2 | B, D (B, D) | Tubulin beta chain | polymer | 431 | 48451.5 | 2 | Pfam (PF00091) Pfam (PF03953) UniProt (by SIFTS) (D0VWY9) | Ovis aries | |
| 3 | E (E) | Stathmin-4 | polymer | 142 | 16719.9 | 1 | UniProt (P63043) Pfam (PF00836) | Rattus norvegicus (Rat) | Stathmin-like protein B3,RB3 |
| 4 | F, G, J, K, L... (A, B, C, D, E) | SULFATE ION | non-polymer | 96.1 | 11 | Chemie (SO4) | Rattus norvegicus | ||
| 5 | H, P (A, C) | GUANOSINE-5'-TRIPHOSPHATE | non-polymer | 523.2 | 2 | Chemie (GTP) | Rattus norvegicus | ||
| 6 | I, Q (A, C) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 7 | M, V (B, D) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 2 | Chemie (GDP) | |||
| 8 | N, W (B, D) | 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole | non-polymer | 348.4 | 2 | Chemie (FWH) | |||
| 9 | AA, BA, CA, Y, Z (C, D, E, A, B) | water | water | 18.0 | 230 | Chemie (HOH) |
Sequence modifications
E: 4 - 145 (UniProt: P63043)
| PDB | External Database | Details |
|---|---|---|
| Ala 4 | Ser 75 | conflict |
| Ala 14 | Cys 85 | engineered mutation |
| Trp 20 | Phe 91 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 5 |
| Total formula weight | 210296.1 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 3734.9 | |
| All* | Total formula weight | 214031.1 |
