5FDX

Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Epithelial discoidin domain-containing receptor 1	polymer	337	38282.8	2	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,DDR1 receptor tyrosine kinase
2	A, B	3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide	non-polymer		524.6	2	Chemie (5X1)
3	A, B	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
4	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
5		water	water		18.0	141	Chemie (HOH)

Sequence modifications

A, B: 601 - 913 (UniProt: Q08345)

PDB	External Database	Details
Met 577	-	initiating methionine
Gly 578	-	expression tag
His 579	-	expression tag
His 580	-	expression tag
His 581	-	expression tag
His 582	-	expression tag
His 583	-	expression tag
His 584	-	expression tag
Ser 585	-	expression tag
Ser 586	-	expression tag
Gly 587	-	expression tag
Val 588	-	expression tag
Asp 589	-	expression tag
Leu 590	-	expression tag
Gly 591	-	expression tag
Thr 592	-	expression tag
Glu 593	-	expression tag
Asn 594	-	expression tag
Leu 595	-	expression tag
Tyr 596	-	expression tag
Phe 597	-	expression tag
Gln 598	-	expression tag
Ser 599	-	expression tag
Met 600	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	76565.6
Non-Polymers*	Number of molecules	10
	Total formula weight	1677.9
All*	Total formula weight	78243.5

*Water molecules are not included.