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	Tubulin alpha chain	polymer	433	48336.6	2	Pfam (PF00091) Pfam (PF03953) UniProt (by SIFTS) (D0VWZ0) In PDB	Ovis aries
2	B, D	Tubulin beta chain	polymer	431	48451.5	2	Pfam (PF00091) Pfam (PF03953) UniProt (by SIFTS) (D0VWY9) In PDB	Ovis aries
3	E	Stathmin-4	polymer	142	16719.9	1	UniProt (P63043) Pfam (PF00836) In PDB	Rattus norvegicus (Rat)	Stathmin-like protein B3,RB3
4	A, B, C, D, E	SULFATE ION	non-polymer		96.1	11	Chemie (SO4)	Rattus norvegicus
5	A, C	GUANOSINE-5'-TRIPHOSPHATE	non-polymer		523.2	2	Chemie (GTP)	Rattus norvegicus
6	A, C	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7	B, D	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
8	B, D	9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole	non-polymer		348.4	2	Chemie (FWH)
9		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

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

*Water molecules are not included.