7UMB

NanoBRET tracer Tram-bo bound to a KSR2-MEK1 complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	Kinase suppressor of Ras 2	polymer	342	39748.7	1	UniProt (Q6VAB6) Pfam (PF07714)	Homo sapiens (human)	hKSR2
2	B (C)	Dual specificity mitogen-activated protein kinase kinase 1	polymer	384	43119.4	1	UniProt (Q02750) Pfam (PF00069)	Homo sapiens (human)
3	C, D (B, C)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
4	E (C)	{3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron	non-polymer		1043.6	1	Chemie (U9F)

Sequence modifications

B: 634 - 950 (UniProt: Q6VAB6)

PDB	External Database	Details
Met 609	-	initiating methionine
Ser 610	-	expression tag
Tyr 611	-	expression tag
Tyr 612	-	expression tag
His 613	-	expression tag
His 614	-	expression tag
His 615	-	expression tag
His 616	-	expression tag
His 617	-	expression tag
His 618	-	expression tag
Asp 619	-	expression tag
Tyr 620	-	expression tag
Asp 621	-	expression tag
Ile 622	-	expression tag
Pro 623	-	expression tag
Thr 624	-	expression tag
Thr 625	-	expression tag
Glu 626	-	expression tag
Asn 627	-	expression tag
Leu 628	-	expression tag
Tyr 629	-	expression tag
Phe 630	-	expression tag
Gln 631	-	expression tag
Gly 632	-	expression tag
Ala 633	-	expression tag

C: 35 - 393 (UniProt: Q02750)

PDB	External Database	Details
Met 10	-	initiating methionine
Ser 11	-	expression tag
Tyr 12	-	expression tag
Tyr 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
Asp 20	-	expression tag
Tyr 21	-	expression tag
Asp 22	-	expression tag
Ile 23	-	expression tag
Pro 24	-	expression tag
Thr 25	-	expression tag
Thr 26	-	expression tag
Glu 27	-	expression tag
Asn 28	-	expression tag
Leu 29	-	expression tag
Tyr 30	-	expression tag
Phe 31	-	expression tag
Gln 32	-	expression tag
Gly 33	-	expression tag
Ala 34	-	expression tag
Ala 328	Gly 328	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	82868.1
Non-Polymers*	Number of molecules	3
	Total formula weight	2056.0
All*	Total formula weight	84924.1

*Water molecules are not included.