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 (A, C) | Tubulin alpha-1B chain | polymer | 450 | 50041.3 | 2 | UniProt (Q2XVP4) Pfam (PF00091) Pfam (PF03953) | Sus scrofa (Pig) | Alpha-tubulin ubiquitous,Tubulin K-alpha-1,Tubulin alpha-ubiquitous chain |
| 2 | B, D (B, D) | Tubulin beta chain | polymer | 445 | 49999.9 | 2 | UniProt (A0A287AGU7) Pfam (PF00091) Pfam (PF03953) UniProt (by SIFTS) (P02554) | Sus scrofa (Pig) | |
| 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 | polymer | 384 | 44378.5 | 1 | UniProt (E1BQ43) | Gallus gallus (Chicken) | |
| 5 | G, S, Y (A, C, D) | GUANOSINE-5'-TRIPHOSPHATE | non-polymer | 523.2 | 3 | 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 | AA, H, N, T, X (F, A, B, C, D) | MAGNESIUM ION | non-polymer | 24.3 | 5 | Chemie (MG) PubChem (888) | |||
| 7 | I, L, P, Q, U... (A, B, C) | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) PubChem (271) | |||
| 8 | J, K (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 9 | M (B) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 1 | 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 | O (B) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) PubChem (4478249) | |||
| 11 | R, V (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) PubChem (11202121) PubChem (11488110) PubChem (11753543) | |||
| 12 | Z (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) PubChem (176489572) PubChem (177596900) PubChem (24764416) PubChem (23637410) PubChem (44465576) PubChem (46853595) PubChem (57661115) PubChem (57822695) PubChem (58947038) PubChem (58990989) PubChem (53320414) PubChem (59857812) PubChem (54750204) PubChem (59883474) PubChem (59916232) PubChem (57815645) PubChem (58640551) PubChem (68009532) PubChem (68015301) PubChem (68026013) PubChem (68263157) PubChem (5471016) PubChem (176849185) PubChem (177106012) PubChem (73425383) PubChem (6331630) PubChem (89191585) PubChem (90848673) PubChem (9853385) PubChem (91437827) PubChem (74891362) PubChem (89568611) PubChem (90206636) PubChem (90208040) PubChem (91211843) PubChem (91343120) PubChem (117590637) PubChem (118056682) PubChem (118258595) PubChem (122546467) PubChem (6712722) PubChem (126970383) PubChem (129606873) PubChem (10417486) PubChem (130177280) PubChem (130179065) PubChem (130179037) PubChem (130396547) PubChem (130358998) PubChem (117809091) PubChem (132028228) PubChem (132061734) PubChem (132027708) PubChem (132263087) PubChem (11354606) PubChem (134164497) PubChem (134164480) PubChem (134243766) PubChem (121342657) PubChem (134990500) PubChem (135021721) PubChem (135209769) PubChem (135213691) PubChem (135242584) PubChem (135213757) PubChem (122362421) PubChem (122410459) PubChem (124604988) PubChem (137507568) PubChem (137545257) PubChem (138643406) PubChem (129136933) PubChem (139377420) PubChem (139316174) PubChem (139316009) PubChem (129631588) PubChem (130179019) PubChem (130179020) PubChem (130184347) PubChem (130184349) PubChem (130341398) PubChem (130395415) PubChem (130395419) PubChem (140708903) PubChem (131989628) PubChem (131989646) PubChem (132027851) PubChem (132028221) PubChem (132028222) PubChem (132028236) PubChem (145853142) PubChem (146158380) PubChem (146199767) PubChem (134164494) PubChem (146538121) PubChem (152902164) PubChem (153517536) PubChem (154993872) PubChem (135242656) PubChem (155617564) PubChem (156564545) PubChem (158058863) PubChem (161381545) PubChem (161078059) PubChem (161337515) PubChem (160776923) PubChem (161078049) PubChem (137189978) PubChem (137495980) PubChem (137507565) PubChem (137507673) PubChem (137545282) PubChem (163996970) PubChem (138107134) PubChem (138643319) PubChem (139316166) PubChem (166785788) PubChem (167017785) PubChem (167181410) PubChem (140919952) PubChem (143150653) PubChem (144446057) PubChem (146199768) PubChem (168853508) PubChem (152902162) PubChem (152902179) PubChem (170440384) PubChem (171000690) PubChem (171054403) PubChem (171390035) PubChem (156041729) PubChem (156231883) PubChem (156427725) PubChem (156492121) PubChem (156532312) PubChem (156630608) PubChem (161078052) PubChem (161078054) PubChem (161078057) PubChem (161078058) PubChem (161118300) PubChem (144841242) PubChem (144858273) PubChem (175973608) PubChem (166639725) PubChem (166820723) PubChem (166933141) PubChem (167018340) PubChem (169490898) PubChem (170050315) PubChem (170050356) PubChem (172012491) PubChem (172107737) | |||
| 13 | BA (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) | |||
| 14 | CA, DA, EA, FA, GA... (A, B, C, D, E...) | 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 |
