13DV

BRAF/CRAF/MEK1/14-3-3 complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Serine/threonine-protein kinase B-raf	polymer	354	40261.1	1	UniProt (P15056)	Homo sapiens (human)	Proto-oncogene B-Raf,p94,v-Raf murine sarcoma viral oncogene homolog B1
2	B (B)	RAF proto-oncogene serine/threonine-protein kinase	polymer	367	41662.3	1	UniProt (P04049)	Homo sapiens (human)	Proto-oncogene c-RAF,cRaf,Raf-1
3	C (C)	Dual specificity mitogen-activated protein kinase kinase 1	polymer	420	46477.1	1	UniProt (Q02750)	Homo sapiens (human)	MAP kinase kinase 1,MAPKK 1,MKK1,ERK activator kinase 1,MAPK/ERK kinase 1,MEK 1
4	D (X)	14-3-3 protein epsilon	polymer	262	29752.2	1	UniProt (A0A2H1VA22)	Spodoptera frugiperda (fall armyworm)
5	E (Y)	14-3-3 protein zeta	polymer	247	28108.5	1	UniProt (A0A9R0D7T1)	Spodoptera frugiperda (fall armyworm)
6	F, G (A, B)	2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol	non-polymer		334.4	2	Chemie (29L) PubChem (11717001)
7	H (C)	5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide	non-polymer		456.2	1	Chemie (LCJ) PubChem (42642654)

Sequence modifications

A: 435 - 766 (UniProt: P15056)

PDB	External Database	Details
Met 413	-	initiating methionine
Asp 414	-	expression tag
Trp 415	-	expression tag
Ser 416	-	expression tag
His 417	-	expression tag
Pro 418	-	expression tag
Gln 419	-	expression tag
Phe 420	-	expression tag
Glu 421	-	expression tag
Lys 422	-	expression tag
Ser 423	-	expression tag
Ala 424	-	expression tag
Val 425	-	expression tag
Asp 426	-	expression tag
Glu 427	-	expression tag
Asn 428	-	expression tag
Leu 429	-	expression tag
Tyr 430	-	expression tag
Phe 431	-	expression tag
Gln 432	-	expression tag
Gly 433	-	expression tag
Gly 434	-	expression tag

B: 306 - 648 (UniProt: P04049)

PDB	External Database	Details
Met 282	-	initiating methionine
Gly 283	-	expression tag
Ser 284	-	expression tag
Ser 285	-	expression tag
His 286	-	expression tag
His 287	-	expression tag
His 288	-	expression tag
His 289	-	expression tag
His 290	-	expression tag
His 291	-	expression tag
Ser 292	-	expression tag
Ala 293	-	expression tag
Val 294	-	expression tag
Asp 295	-	expression tag
Glu 296	-	expression tag
Asn 297	-	expression tag
Leu 298	-	expression tag
Tyr 299	-	expression tag
Phe 300	-	expression tag
Gln 301	-	expression tag
Gly 302	-	expression tag
Gly 303	-	expression tag
Gly 304	-	expression tag
Arg 305	-	expression tag
Asp 340	Tyr 340	engineered mutation
Asp 341	Tyr 341	engineered mutation
Glu 559	Phe 559	engineered mutation
Ala 563	Arg 563	engineered mutation

C: 1 - 393 (UniProt: Q02750)

PDB	External Database	Details
Met -26	-	initiating methionine
Gly -25	-	expression tag
Ser -24	-	expression tag
Ser -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ala -15	-	expression tag
Val -14	-	expression tag
Asp -13	-	expression tag
Glu -12	-	expression tag
Asn -11	-	expression tag
Leu -10	-	expression tag
Tyr -9	-	expression tag
Phe -8	-	expression tag
Gln -7	-	expression tag
Gly -6	-	expression tag
Gly -5	-	expression tag
Gly -4	-	expression tag
Arg -3	-	expression tag
Ser -2	-	expression tag
Gln -1	-	expression tag
Leu 0	-	expression tag
Ala 218	Ser 218	engineered mutation
Ala 222	Ser 222	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	186261.2
Non-Polymers*	Number of molecules	3
	Total formula weight	1125.0
All*	Total formula weight	187386.2

*Water molecules are not included.