8EWV

DNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E, I, M, Q...	Elongin-B	polymer	118	13147.8	6	UniProt (Q15370) Pfam (PF00240) In PDB	Homo sapiens (human)	EloB,Elongin 18 kDa subunit,RNA polymerase II transcription factor SIII subunit B,SIII p18,Transcription elongation factor B polypeptide 2
2	B, F, J, N, R...	Elongin-C	polymer	96	10843.4	6	UniProt (Q15369) Pfam (PF03931) In PDB	Homo sapiens (human)	EloC, Elongin 15 kDa subunit, RNA polymerase II transcription factor SIII subunit C, SIII p15, Transcription elongation factor B polypeptide 1
3	C, G, K, O, S...	von Hippel-Lindau disease tumor suppressor	polymer	162	18712.3	6	UniProt (P40337) Pfam (PF01847) Pfam (PF17211) In PDB	Homo sapiens (human)	Protein G7,pVHL
4	D, H, L, P, T...	Bromodomain-containing protein 4	polymer	127	15099.4	6	UniProt (O60885) Pfam (PF00439) In PDB	Homo sapiens (human)	Protein HUNK1
5	K, O, S, W, C...	N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide	non-polymer		940.2	6	Chemie (X5K)

Sequence modifications

C, G, K, O, S, W: 54 - 213 (UniProt: P40337)

PDB	External Database	Details
Gly 52	-	expression tag
Pro 53	-	expression tag

D, H, L, P, T, X: 44 - 168 (UniProt: O60885)

PDB	External Database	Details
Ser 42	-	expression tag
Met 43	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	24
	Total formula weight	346817.5
Non-Polymers*	Number of molecules	6
	Total formula weight	5641.3
All*	Total formula weight	352458.7

*Water molecules are not included.