5CB4
Crystal structure of T2R-TTL-Tivantinib 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 (A, C) | Tubulin alpha | polymer | 450 | 50041.3 | 2 | UniProt (by SIFTS) (A0A0R4I993) | Sus barbatus | |
| 2 | B, D (B, D) | Tubulin beta | polymer | 445 | 49999.9 | 2 | UniProt (by SIFTS) (A0A0R4I995) | Sus barbatus | |
| 3 | E (E) | Stathmin-4 | polymer | 143 | 16844.2 | 1 | UniProt (P63043) Pfam (PF00836) | Rattus norvegicus (Rat) | Stathmin-like protein B3,RB3 |
| 4 | F (F) | Uncharacterized protein | polymer | 384 | 44378.5 | 1 | UniProt (E1BQ43) | Gallus gallus (Chicken) | TUBULIN TYROSINE LIGASE, TTL |
| 5 | G, O (A, C) | GUANOSINE-5'-TRIPHOSPHATE | non-polymer | 523.2 | 2 | Chemie (GTP) PubChem (177679032) PubChem (135400627) PubChem (135487750) PubChem (136088935) PubChem (136803486) PubChem (135398633) PubChem (135544356) PubChem (135547949) PubChem (135600366) PubChem (135749822) PubChem (136005188) PubChem (136073923) PubChem (136240914) PubChem (136664747) PubChem (136772743) PubChem (136772744) PubChem (136803487) PubChem (137286749) PubChem (164715984) PubChem (171699466) | |||
| 6 | H, L, P (A, B, C) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) PubChem (888) | |||
| 7 | I, Q (A, C) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) PubChem (271) | |||
| 8 | J (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 9 | K, R (B, D) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 2 | Chemie (GDP) PubChem (136073927) PubChem (135398619) PubChem (135402030) PubChem (135431654) PubChem (135566337) PubChem (135760556) PubChem (136026707) PubChem (136053418) PubChem (136663964) PubChem (136664748) PubChem (136759848) PubChem (136759849) PubChem (136759850) PubChem (136836636) PubChem (136847074) PubChem (172898537) | |||
| 10 | M (B) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) PubChem (4478249) | |||
| 11 | N, S (B, D) | (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione | non-polymer | 369.4 | 2 | Chemie (TIV) | |||
| 12 | T (F) | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | non-polymer | 505.2 | 1 | Chemie (ACP) PubChem (4799) PubChem (46936826) PubChem (91532) PubChem (91885473) PubChem (134943439) PubChem (157749842) PubChem (157749839) | |||
| 13 | U, V, W, X, Y... (A, B, C, D, E...) | water | water | 18.0 | 829 | 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 | 14 |
| Total formula weight | 3617.2 | |
| All* | Total formula weight | 264922.2 |
