8GKM

A1 Leu graft + Leu: Adenylation domain 1 core construct from teicoplanin biosynthesis, leucine selection pocket graft; leucine bound

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)	Non-ribosomal peptide synthetase	polymer	399	42145.8	2	UniProt (Q70AZ9) Pfam (PF00501) UniProt (by SIFTS) (A0A561VI36)	Actinoplanes teichomyceticus
2	C, D (C, D)	MbtH-like short polypeptide	polymer	69	7636.3	2	UniProt (Q70AZ5) Pfam (PF03621) UniProt (by SIFTS) (Q6ZZJ2)	Actinoplanes teichomyceticus
3	E, I (A, B)	LEUCINE	non-polymer		131.2	2	Chemie (LEU)
4	F (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5	G (A)	ACETIC ACID	non-polymer		60.1	1	Chemie (ACY)
6	H (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7	J, K, L, M (A, B, C, D)	water	water		18.0	358	Chemie (HOH)

Sequence modifications

A, B: 9 - 398 (UniProt: Q70AZ9)

PDB	External Database	Details
Met 8	-	initiating methionine
Tyr 237	His 237	engineered mutation
Met 287	Leu 287	engineered mutation
Met 295	Leu 295	engineered mutation
Gly 399	-	expression tag
Ser 400	-	expression tag
His 401	-	expression tag
His 402	-	expression tag
His 403	-	expression tag
His 404	-	expression tag
His 405	-	expression tag
His 406	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	99564.2
Non-Polymers*	Number of molecules	5
	Total formula weight	451.5
All*	Total formula weight	100015.7

*Water molecules are not included.