9IA6

Crystal structure of DNPH1 bound by compound 3.

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, B, C, D (A, B, C, D)	5-hydroxymethyl-dUMP N-hydrolase	polymer	152	17174.3	4	UniProt (O43598) Pfam (PF05014)	Homo sapiens (human)	2'-deoxynucleoside 5'-phosphate N-hydrolase 1,c-Myc-responsive protein RCL
2	E, I (A, D)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
3	F, G, H, J (A, B, C, D)	8-[3-(6-cyano-1~{H}-indol-2-yl)-5-[[1-[2-(methylamino)phenyl]carbonylpiperidin-4-yl]amino]-1,2,4-triazol-1-yl]octanoic acid	non-polymer		582.7	4	Chemie (A1I1U)
4	K, L, M, N (A, B, C, D)	water	water		18.0	82	Chemie (HOH)

Sequence modifications

A, B, C, D: 20 - 162 (UniProt: O43598)

PDB	External Database	Details
Met 19	-	initiating methionine
Leu 163	-	expression tag
Glu 164	-	expression tag
Glu 165	-	expression tag
Asn 166	-	expression tag
Leu 167	-	expression tag
Tyr 168	-	expression tag
Phe 169	-	expression tag
Gln 170	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	68697.2
Non-Polymers*	Number of molecules	6
	Total formula weight	2401.7
All*	Total formula weight	71098.9

*Water molecules are not included.