6J88

Crystal structure of HinD with benzo[b]thiophen analog

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Nocardicin N-oxygenase	polymer	435	47925.7	2	UniProt (A0A1M4Y7D5) Pfam (PF00067)	Streptoalloteichus hindustanus
2	C, E (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, F (A, B)	N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide	non-polymer		320.4	2	Chemie (B9O)
4	G, H (A, B)	water	water		18.0	121	Chemie (HOH)

Sequence modifications

A, B: 1 - 415 (UniProt: A0A1M4Y7D5)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95851.4
Non-Polymers*	Number of molecules	4
	Total formula weight	1873.9
All*	Total formula weight	97725.3

*Water molecules are not included.