5N82

Crystal structure of an engineered TycA variant in complex with an beta-Phe-AMP analog

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Tyrocidine synthase 1	polymer	427	47786.2	1	UniProt (P09095)	Brevibacillus parabrevis	Tyrocidine synthase I
2	B (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
3	C (A)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	1	Chemie (BTB)
4	D (A)	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-phenyl-propanoyl]sulfamate	non-polymer		493.5	1	Chemie (8PZ)
5	E (A)	water	water		18.0	328	Chemie (HOH)

Sequence modifications

A: 13 - 427 (UniProt: P09095)

PDB	External Database	Details
Met 1	-	initiating methionine
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
Ser 8	-	expression tag
Gly 9	-	expression tag
Arg 10	-	expression tag
Ser 11	-	expression tag
Val 12	-	expression tag
Val 234	Ala 224	conflict
-	Thr 316	deletion
Cys 326	Ser 317	conflict
Leu 327	Ile 318	conflict
Val 328	Cys 319	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	47786.2
Non-Polymers*	Number of molecules	3
	Total formula weight	798.8
All*	Total formula weight	48584.9

*Water molecules are not included.