5SYS

c-Src V281C bound to N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Proto-oncogene tyrosine-protein kinase Src	polymer	286	32730.7	2	UniProt (P00523) Pfam (PF07714) In PDB	Gallus gallus (Chicken)	Proto-oncogene c-Src,pp60c-src,p60-Src
2	A, B	N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide	non-polymer		588.6	2	Chemie (72F)
3		water	water		18.0	67	Chemie (HOH)

Sequence modifications

A, B: 251 - 533 (UniProt: P00523)

PDB	External Database	Details
Gly 248	-	expression tag
His 249	-	expression tag
Met 250	-	expression tag
Cys 281	Val 281	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	65461.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1177.2
All*	Total formula weight	66638.5

*Water molecules are not included.