7DQ6

Crystal structure of HitB in complex with (S)-beta-3-Br-phenylalanine sulfamoyladenosine

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)	Putative ATP-dependent b-aminoacyl-ACP synthetase	polymer	549	59674.7	2	UniProt (A0A0F7R6G7)	Embleya scabrispora
2	C, E (A, B)	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(3S)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate	non-polymer		572.4	2	Chemie (HFR)
3	D, F (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4	G, H (A, B)	water	water		18.0	62	Chemie (HOH)

Sequence modifications

A, B: 1 - 533 (UniProt: A0A0F7R6G7)

PDB	External Database	Details
Met -15	-	initiating methionine
Asn -14	-	expression tag
His -13	-	expression tag
Lys -12	-	expression tag
Val -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
Ile -4	-	expression tag
Glu -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	119349.4
Non-Polymers*	Number of molecules	4
	Total formula weight	1224.9
All*	Total formula weight	120574.3

*Water molecules are not included.