7VKN

Crystal structure of TrkA (G595R) kinase with repotrectinib

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Tyrosine-protein kinase receptor	polymer	326	37335.9	1	UniProt (J3KP20) Pfam (PF07714) UniProt (by SIFTS) (P04629) In PDB	Homo sapiens (Human)
2	A	Repotrectinib	non-polymer		355.4	1	Chemie (7GI)
3	A	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
4		water	water		18.0	16	Chemie (HOH)

Sequence modifications

A: 502 - 796 (UniProt: J3KP20)

PDB	External Database	Details
Met 471	-	initiating methionine
Ser 472	-	expression tag
Tyr 473	-	expression tag
Tyr 474	-	expression tag
His 475	-	expression tag
His 476	-	expression tag
His 477	-	expression tag
His 478	-	expression tag
His 479	-	expression tag
His 480	-	expression tag
Asp 481	-	expression tag
Tyr 482	-	expression tag
Asp 483	-	expression tag
Ile 484	-	expression tag
Pro 485	-	expression tag
Thr 486	-	expression tag
Thr 487	-	expression tag
Glu 488	-	expression tag
Asn 489	-	expression tag
Leu 490	-	expression tag
Tyr 491	-	expression tag
Phe 492	-	expression tag
Gln 493	-	expression tag
Gly 494	-	expression tag
Ala 495	-	expression tag
Met 496	-	expression tag
Gly 497	-	expression tag
Ser 498	-	expression tag
Gly 499	-	expression tag
Ile 500	-	expression tag
Arg 501	-	expression tag
Arg 595	Gly 592	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37335.9
Non-Polymers*	Number of molecules	6
	Total formula weight	835.7
All*	Total formula weight	38171.6

*Water molecules are not included.