4RWK

Crystal structure of V561M FGFR1 gatekeeper mutation (C488A, C584S, V561M) in complex with N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE (AZD4547)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Fibroblast growth factor receptor 1	polymer	317	36258.7	2	UniProt (P11362) Pfam (PF07714) In PDB	Homo sapiens (human)	FGFR-1, Basic fibroblast growth factor receptor 1, BFGFR, bFGF-R-1, Fms-like tyrosine kinase 2, FLT-2, N-sam, Proto-oncogene c-Fgr
2	A, B	N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide	non-polymer		463.6	2	Chemie (66T)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4		water	water		18.0	7	Chemie (HOH)

Sequence modifications

A, B: 458 - 765 (UniProt: P11362)

PDB	External Database	Details
Met 449	-	expression tag
Gly 450	-	expression tag
His 451	-	expression tag
His 452	-	expression tag
His 453	-	expression tag
His 454	-	expression tag
His 455	-	expression tag
His 456	-	expression tag
Met 457	-	expression tag
Ala 488	Cys 488	engineered mutation
Met 561	Val 561	engineered mutation
Ser 584	Cys 584	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72517.3
Non-Polymers*	Number of molecules	3
	Total formula weight	951.4
All*	Total formula weight	73468.8

*Water molecules are not included.