6M01

The structure of HitB-HitD complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Putative ATP-dependent b-aminoacyl-ACP synthetase	polymer	549	59662.8	1	UniProt (A0A0F7R6G7) Pfam (PF00501) Pfam (PF13193)	Embleya scabrispora	HitB
2	B (B)	Putative ACP	polymer	98	11081.4	1	UniProt (A0A0F7R2R9) Pfam (PF00550)	Embleya scabrispora	HitD
3	C (A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
4	D (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	E (B)	N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide	non-polymer		383.3	1	Chemie (9EF)
6	F, G (A, B)	water	water		18.0	294	Chemie (HOH)

Sequence modifications

A: 1 - 533 (UniProt: A0A0F7R6G7)

PDB	External Database	Details
Met -15	-	expression tag
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
Cys 221	Asp 221	engineered mutation

B: 1 - 82 (UniProt: A0A0F7R2R9)

PDB	External Database	Details
Met -15	-	expression tag
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	70744.2
Non-Polymers*	Number of molecules	3
	Total formula weight	902.6
All*	Total formula weight	71646.8

*Water molecules are not included.