6Q7N

Crystal structure of BH32 alkylated with the mechanistic inhibitor 2-bromoacetophenone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	BH32	polymer	242	27676.6	1	UniProt (O58216) Pfam (PF00702) In PDB	Pyrococcus horikoshii
2	A	1-PHENYLETHANONE	non-polymer		120.1	1	Chemie (AC0)
3		water	water		18.0	91	Chemie (HOH)

Sequence modifications

A: 1 - 232 (UniProt: O58216)

PDB	External Database	Details
Ser 9	Phe 9	conflict
Leu 10	Val 10	conflict
Asn 14	Leu 14	conflict
Ala 19	Glu 19	conflict
Ser 22	Thr 22	conflict
Leu 64	Ile 64	conflict
Leu 68	Glu 68	conflict
Ser 91	His 91	conflict
Ser 95	His 95	conflict
Gln 128	Tyr 128	conflict
Ala 129	Leu 129	conflict
Phe 132	His 132	conflict
Gly 233	-	expression tag
Ser 234	-	expression tag
Leu 235	-	expression tag
Glu 236	-	expression tag
His 237	-	expression tag
His 238	-	expression tag
His 239	-	expression tag
His 240	-	expression tag
His 241	-	expression tag
His 242	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	27676.6
Non-Polymers*	Number of molecules	1
	Total formula weight	120.1
All*	Total formula weight	27796.8

*Water molecules are not included.