9BFG

Structure of the crosslinked PCP-E didomain of tyrocidine synthetase A

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)	Tyrocidine synthase 1	polymer	555	62970.7	2	UniProt (P09095) Pfam (PF00550) Pfam (PF00668)	Brevibacillus parabrevis	Tyrocidine synthase I
2	C, D, F, H, I... (A, B)	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
3	E, Q, S (A, B)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	3	Chemie (MES)
4	G, N, T, W (A, B)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
5	L, V (A, B)	N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide	non-polymer		368.4	2	Chemie (2GH)
6	X, Y (A, B)	water	water		18.0	323	Chemie (HOH)

Sequence modifications

A, B: 3 - 545 (UniProt: P09095)

PDB	External Database	Details
Met 1	-	expression tag
Val 2	-	expression tag
Ala 370	Glu 882	engineered mutation
Gly 546	-	expression tag
Ser 547	-	expression tag
Arg 548	-	expression tag
Ser 549	-	expression tag
His 550	-	expression tag
His 551	-	expression tag
His 552	-	expression tag
His 553	-	expression tag
His 554	-	expression tag
His 555	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	125941.5
Non-Polymers*	Number of molecules	21
	Total formula weight	2843.6
All*	Total formula weight	128785.0

*Water molecules are not included.