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	Tubulin alpha	polymer	450	50041.3	2	Pfam (PF00091) Pfam (PF03953) UniProt (by SIFTS) (A0A0R4I993) In PDB	Sus barbatus
2	B, D	Tubulin beta	polymer	445	49999.9	2	Pfam (PF00091) Pfam (PF03953) UniProt (by SIFTS) (A0A0R4I995) In PDB	Sus barbatus
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	Uncharacterized protein	polymer	384	44378.5	1	UniProt (E1BQ43) In PDB	Gallus gallus (Chicken)	TUBULIN TYROSINE LIGASE, TTL
5	A, C	GUANOSINE-5'-TRIPHOSPHATE	non-polymer		523.2	2	Chemie (GTP)
6	A, B, C	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
7	A, C	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
8	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
9	B, D	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
10	B	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
11	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	F	PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER	non-polymer		505.2	1	Chemie (ACP)
13		water	water		18.0	829	Chemie (HOH)

Sequence modifications

E: 5 - 145 (UniProt: P63043)

PDB	External Database	Details
Met 3	-	expression tag
Ala 4	-	expression tag

F: 1 - 378 (UniProt: E1BQ43)

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

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

*Water molecules are not included.