6P5V

Structure of DCN1 bound to N-((4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-methylbenzamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Lysozyme,DCN1-like protein 1 fusion	polymer	384	44307.4	1	UniProt (D9IEF7) UniProt (Q96GG9) Pfam (PF00959) Pfam (PF03556)	Enterobacteria phage T4	DCUN1 domain-containing protein 1,Defective in cullin neddylation protein 1-like protein 1,Squamous cell carcinoma-related oncogene
2	B (A)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
3	C (A)	N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide	non-polymer		486.6	1	Chemie (O37)
4	D (A)	water	water		18.0	419	Chemie (HOH)

Sequence modifications

A: 1 - 164 (UniProt: D9IEF7)

PDB	External Database	Details
Met -21	-	initiating methionine
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Gln -10	-	expression tag
Asp -9	-	expression tag
Leu -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
Ser 0	-	expression tag
Thr 54	Cys 54	conflict
Ala 97	Cys 97	conflict
Thr 146	Ala 146	conflict

A: 1062 - 1259 (UniProt: Q96GG9)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44307.4
Non-Polymers*	Number of molecules	2
	Total formula weight	604.8
All*	Total formula weight	44912.1

*Water molecules are not included.