5NJH
Triazolopyrimidines stabilize microtubules by binding to the vinca inhibitor site of tubulin
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-1B chain | polymer | 450 | 50041.3 | 2 | UniProt (P81947) Pfam (PF00091) Pfam (PF03953) | Bos taurus (Bovine) | Alpha-tubulin ubiquitous,Tubulin K-alpha-1,Tubulin alpha-ubiquitous chain |
| 2 | B, D (B, D) | Tubulin beta-2B chain | polymer | 445 | 49999.9 | 2 | UniProt (Q6B856) Pfam (PF00091) Pfam (PF03953) | Bos taurus (Bovine) | |
| 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) | tubulin tyrosine ligase TTL | polymer | 384 | 44378.5 | 1 | UniProt (E1BQ43) | Gallus gallus (Chicken) | |
| 5 | G, L (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, J, M, O, P (A, B, C, D, F) | MAGNESIUM ION | non-polymer | 24.3 | 5 | Chemie (MG) PubChem (888) | |||
| 7 | I, N (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) | |||
| 8 | K (B) | 5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine | non-polymer | 423.8 | 1 | Chemie (8Z8) PubChem (137348771) PubChem (149058061) | |||
| 9 | Q (F) | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | non-polymer | 505.2 | 1 | Chemie (ACP) PubChem (4799) PubChem (46936826) PubChem (91532) PubChem (91885473) PubChem (157749842) PubChem (134943439) PubChem (157749839) | |||
| 10 | R, S, T, U, V... (A, B, C, D, E...) | water | water | 18.0 | 361 | Chemie (HOH) |
Sequence modifications
E: 3 - 145 (UniProt: P63043)
F: 1 - 378 (UniProt: E1BQ43)
| PDB | External Database | Details |
|---|---|---|
| Met 3 | Ile 47 | conflict |
| Ala 4 | Ser 48 | conflict |
| 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 | 11 |
| Total formula weight | 2983.3 | |
| All* | Total formula weight | 264288.3 |
