3TT0

Co-structure of Fibroblast Growth Factor Receptor 1 kinase domain with 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (BGJ398)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Basic fibroblast growth factor receptor 1	polymer	382	44298.1	2	UniProt (P11362) Pfam (PF07714)	Homo sapiens (human)	FGFR-1, bFGF-R-1, Fms-like tyrosine kinase 2, FLT-2, Proto-oncogene c-Fgr
2	C, G (A, B)	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea	non-polymer		560.5	2	Chemie (07J)
3	D, E, F, H (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	I, J, K (B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
5	L, M (A, B)	water	water		18.0	413	Chemie (HOH)

Sequence modifications

A, B: 456 - 765 (UniProt: P11362)

PDB	External Database	Details
Met 408	-	expression tag
Gly 409	-	expression tag
Tyr 410	-	expression tag
Tyr 411	-	expression tag
His 412	-	expression tag
His 413	-	expression tag
His 414	-	expression tag
His 415	-	expression tag
His 416	-	expression tag
His 417	-	expression tag
Asp 418	-	expression tag
Tyr 419	-	expression tag
Asp 420	-	expression tag
Ile 421	-	expression tag
Pro 422	-	expression tag
Thr 423	-	expression tag
Thr 424	-	expression tag
Glu 425	-	expression tag
Asn 426	-	expression tag
Leu 427	-	expression tag
Tyr 428	-	expression tag
Phe 429	-	expression tag
Asn 430	-	expression tag
Gly 431	-	expression tag
Met 432	-	expression tag
Gly 433	-	expression tag
Tyr 434	-	expression tag
Tyr 435	-	expression tag
His 436	-	expression tag
His 437	-	expression tag
His 438	-	expression tag
His 439	-	expression tag
His 440	-	expression tag
His 441	-	expression tag
Asp 442	-	expression tag
Tyr 443	-	expression tag
Asp 444	-	expression tag
Ile 445	-	expression tag
Pro 446	-	expression tag
Thr 447	-	expression tag
Thr 448	-	expression tag
Glu 449	-	expression tag
Asn 450	-	expression tag
Leu 451	-	expression tag
Tyr 452	-	expression tag
Phe 453	-	expression tag
Gln 454	-	expression tag
Gly 455	-	expression tag
Ala 488	Cys 488	conflict
Ser 584	Cys 584	engineered mutation
Met 766	-	expression tag
Gly 767	-	expression tag
Tyr 768	-	expression tag
Tyr 769	-	expression tag
His 770	-	expression tag
His 771	-	expression tag
His 772	-	expression tag
His 773	-	expression tag
His 774	-	expression tag
His 775	-	expression tag
Asp 776	-	expression tag
Tyr 777	-	expression tag
Asp 778	-	expression tag
Ile 779	-	expression tag
Pro 780	-	expression tag
Thr 781	-	expression tag
Thr 782	-	expression tag
Glu 783	-	expression tag
Asn 784	-	expression tag
Leu 785	-	expression tag
Tyr 786	-	expression tag
Phe 787	-	expression tag
Asn 788	-	expression tag
Gly 789	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	88596.3
Non-Polymers*	Number of molecules	9
	Total formula weight	1781.5
All*	Total formula weight	90377.8

*Water molecules are not included.