36MP

Covalent molecular glue EM12-FS in complex with CRBN/DDB1 and NTAQ1

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	DNA damage-binding protein 1	polymer	864	96425.6	1	UniProt (Q16531) Pfam (PF10433) Pfam (PF03178)	Homo sapiens (human)	DDB p127 subunit,DNA damage-binding protein a,DDBa,Damage-specific DNA-binding protein 1,HBV X-associated protein 1,XAP-1,UV-damaged DNA-binding factor,UV-damaged DNA-binding protein 1,UV-DDB 1,XPE-binding factor,XPE-BF,Xeroderma pigmentosum group E-complementing protein,XPCe
2	B (B)	Protein cereblon	polymer	426	48976.1	1	UniProt (Q96SW2) Pfam (PF02190) Pfam (PF03226)	Homo sapiens (human)
3	C (C)	Protein N-terminal glutamine amidohydrolase	polymer	248	28291.4	1	UniProt (Q96HA8) Pfam (PF09764)	Homo sapiens (human)	Protein NH2-terminal glutamine deamidase,N-terminal Gln amidase,Nt(Q)-amidase,WDYHV motif-containing protein 1
4	D (B)	2-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxo-2,3-dihydro-1H-isoindol-5-yl sulfurofluoridate	non-polymer		342.3	1	Chemie (A1DKJ)	Homo sapiens

Sequence modifications

A: 1 - 699 (UniProt: Q16531)

PDB	External Database	Details
Met -27	-	initiating methionine
Gly -26	-	expression tag
Ser -25	-	expression tag
Ser -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
Ser -17	-	expression tag
Ala -16	-	expression tag
Ala -15	-	expression tag
His -14	-	expression tag
Ile -13	-	expression tag
Val -12	-	expression tag
Met -11	-	expression tag
Val -10	-	expression tag
Asp -9	-	expression tag
Ala -8	-	expression tag
Tyr -7	-	expression tag
Lys -6	-	expression tag
Pro -5	-	expression tag
Thr -4	-	expression tag
Lys -3	-	expression tag
Gly -2	-	expression tag
Gly -1	-	expression tag
Arg 0	-	expression tag

A: 706 - 1140 (UniProt: Q16531)

PDB	External Database	Details
Gly 700	-	linker
Asn 701	-	linker
Gly 702	-	linker
Asn 703	-	linker
Ser 704	-	linker
Gly 705	-	linker

B: 41 - 442 (UniProt: Q96SW2)

PDB	External Database	Details
Met 17	-	expression tag
Asp 18	-	expression tag
Trp 19	-	expression tag
Ser 20	-	expression tag
His 21	-	expression tag
Pro 22	-	expression tag
Gln 23	-	expression tag
Phe 24	-	expression tag
Glu 25	-	expression tag
Lys 26	-	expression tag
Ser 27	-	expression tag
Ala 28	-	expression tag
Val 29	-	expression tag
Asp 30	-	expression tag
Glu 31	-	expression tag
Asn 32	-	expression tag
Leu 33	-	expression tag
Tyr 34	-	expression tag
Phe 35	-	expression tag
Gln 36	-	expression tag
Gly 37	-	expression tag
Gly 38	-	expression tag
Gly 39	-	expression tag
Arg 40	-	expression tag

C: 2 - 205 (UniProt: Q96HA8)

PDB	External Database	Details
Met -42	-	initiating methionine
Gly -41	-	expression tag
Ser -40	-	expression tag
Ser -39	-	expression tag
His -38	-	expression tag
His -37	-	expression tag
His -36	-	expression tag
His -35	-	expression tag
His -34	-	expression tag
His -33	-	expression tag
Ser -32	-	expression tag
Ala -31	-	expression tag
Val -30	-	expression tag
Asp -29	-	expression tag
Gly -28	-	expression tag
Leu -27	-	expression tag
Asn -26	-	expression tag
Asp -25	-	expression tag
Ile -24	-	expression tag
Phe -23	-	expression tag
Glu -22	-	expression tag
Ala -21	-	expression tag
Gln -20	-	expression tag
Lys -19	-	expression tag
Ile -18	-	expression tag
Glu -17	-	expression tag
Trp -16	-	expression tag
His -15	-	expression tag
Glu -14	-	expression tag
Gly -13	-	expression tag
Gly -12	-	expression tag
Gly -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Gly 0	-	expression tag
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	173693.1
Non-Polymers*	Number of molecules	1
	Total formula weight	342.3
All*	Total formula weight	174035.4

*Water molecules are not included.