6FEX

DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.291A, P212121, Rfree=17.4%

Replaces:  6FIM

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Epithelial discoidin domain-containing receptor 1	polymer	321	36502.9	1	UniProt (Q08345) Pfam (PF07714) In PDB	Homo sapiens (Human)	Epithelial discoidin domain receptor 1,CD167 antigen-like family member A,Cell adhesion kinase,Discoidin receptor tyrosine kinase,HGK2,Mammary carcinoma kinase 10,MCK-10,Protein-tyrosine kinase 3A,Protein-tyrosine kinase RTK-6,TRK E,Tyrosine kinase DDR,Tyrosine-protein kinase CAK
2	A	2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide	non-polymer		565.3	1	Chemie (D6Z)
3	A	IODIDE ION	non-polymer		126.9	4	Chemie (IOD)
4	A	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
5	A	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
6		water	water		18.0	336	Chemie (HOH)

Sequence modifications

A: 593 - 913 (UniProt: Q08345)

PDB	External Database	Details
-	Gly 711	deletion
-	Gln 712	deletion
-	Ala 713	deletion
-	Ala 714	deletion
-	Gln 715	deletion
-	Gly 716	deletion
His 914	-	expression tag
His 915	-	expression tag
His 916	-	expression tag
His 917	-	expression tag
His 918	-	expression tag
His 919	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36502.9
Non-Polymers*	Number of molecules	10
	Total formula weight	1410.0
All*	Total formula weight	37912.9

*Water molecules are not included.