5V84

CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Cat eye syndrome critical region protein 2	polymer	140	16639.8	4	UniProt (Q9BXF3) Pfam (PF00439)	Homo sapiens (Human)
2	E, I (A, D)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	F, G, H, J (A, B, C, D)	N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide	non-polymer		432.6	4	Chemie (96V)
4	K, L, M, N (A, B, C, D)	water	water		18.0	20	Chemie (HOH)

Sequence modifications

A, B, C, D: 424 - 538 (UniProt: Q9BXF3)

PDB	External Database	Details
Met 399	-	initiating methionine
His 400	-	expression tag
His 401	-	expression tag
His 402	-	expression tag
His 403	-	expression tag
His 404	-	expression tag
His 405	-	expression tag
Ala 406	-	expression tag
Ser 407	-	expression tag
Asp 408	-	expression tag
Tyr 409	-	expression tag
Lys 410	-	expression tag
Asp 411	-	expression tag
Asp 412	-	expression tag
Asp 413	-	expression tag
Asp 414	-	expression tag
Lys 415	-	expression tag
Gly 416	-	expression tag
Ser 417	-	expression tag
Leu 418	-	expression tag
Val 419	-	expression tag
Pro 420	-	expression tag
Arg 421	-	expression tag
Gly 422	-	expression tag
Ser 423	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	66559.4
Non-Polymers*	Number of molecules	6
	Total formula weight	1922.4
All*	Total formula weight	68481.7

*Water molecules are not included.