7DP8
Crystal structure of T2R-TTL-Cevipabulin-eribulin complex
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C | Tubulin alpha-1B chain | polymer | 450 | 50041.3 | 2 | UniProt (Q2XVP4) Pfam (PF00091) Pfam (PF03953) In PDB | Sus scrofa (Pig) | Alpha-tubulin ubiquitous,Tubulin K-alpha-1,Tubulin alpha-ubiquitous chain |
| 2 | B, D | Tubulin beta chain | polymer | 445 | 49999.9 | 2 | UniProt (A0A287AGU7) Pfam (PF00091) Pfam (PF03953) UniProt (by SIFTS) (P02554) In PDB | Sus scrofa (Pig) | |
| 3 | E | Stathmin-4 | polymer | 143 | 16844.2 | 1 | UniProt (P63043) Pfam (PF00836) In PDB | Rattus norvegicus (Rat) | Stathmin-like protein B3,RB3 |
| 4 | F | Tubulin tyrosine ligase | polymer | 384 | 44378.5 | 1 | UniProt (E1BQ43) In PDB | Gallus gallus (Chicken) | |
| 5 | A, C, D | GUANOSINE-5'-TRIPHOSPHATE | non-polymer | 523.2 | 3 | Chemie (GTP) | |||
| 6 | F, A, B, C, D | MAGNESIUM ION | non-polymer | 24.3 | 5 | Chemie (MG) | |||
| 7 | A, B, C | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 8 | A | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 9 | B | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 1 | Chemie (GDP) | |||
| 10 | B | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 11 | C | 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | non-polymer | 464.8 | 2 | Chemie (G2X) | |||
| 12 | D | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name) | non-polymer | 729.9 | 1 | Chemie (6K9) | |||
| 13 | F | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | non-polymer | 505.2 | 1 | Chemie (ACP) | |||
| 14 | water | water | 18.0 | 118 | Chemie (HOH) |
Sequence modifications
E: 5 - 145 (UniProt: P63043)
F: 1 - 378 (UniProt: E1BQ43)
| PDB | External Database | Details |
|---|---|---|
| Met 3 | - | expression tag |
| Ala 4 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| His 379 | - | expression tag |
| His 380 | - | expression tag |
| His 381 | - | expression tag |
| His 382 | - | expression tag |
| His 383 | - | expression tag |
| His 384 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 261305.0 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 4918.9 | |
| All* | Total formula weight | 266223.9 |
