8W3D

TAS-120 covalent structure with FGFR2 molecular brake mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Fibroblast growth factor receptor 2	polymer	324	37141.8	4	UniProt (P21802) Pfam (PF07714)	Homo sapiens (human)	FGFR-2,K-sam,KGFR,Keratinocyte growth factor receptor
2	E, J, O, Q (A, B, C, D)	1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one	non-polymer		418.4	4	Chemie (TZ0)
3	F, K, L, R (A, B, D)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4	G, H, I, M, N... (A, B, C, D)	SULFATE ION	non-polymer		96.1	9	Chemie (SO4)
5	V, W, X, Y (A, B, C, D)	water	water		18.0	447	Chemie (HOH)

Sequence modifications

A, B, C, D: 458 - 768 (UniProt: P21802)

PDB	External Database	Details
Met 445	-	initiating methionine
Gly 446	-	expression tag
Ser 447	-	expression tag
Ser 448	-	expression tag
His 449	-	expression tag
His 450	-	expression tag
His 451	-	expression tag
His 452	-	expression tag
His 453	-	expression tag
His 454	-	expression tag
Ser 455	-	expression tag
Gln 456	-	expression tag
Asp 457	-	expression tag
Lys 549	Asn 549	engineered mutation
Val 650	Asp 650	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	148567.1
Non-Polymers*	Number of molecules	17
	Total formula weight	2906.7
All*	Total formula weight	151473.8

*Water molecules are not included.