7YWK

Crystal structure of an engineered TycA variant, TycApPLA, in complex with AMP

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	427	47562.8	2	UniProt (P09095) Pfam (PF00501)	Brevibacillus parabrevis	Tyrocidine synthase I
2	C, G (A, B)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	2	Chemie (BTB)
3	D, H (A, B)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	2	Chemie (AMP)
4	E, I (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	F, J (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
6	K, L (A, B)	water	water		18.0	1466	Chemie (HOH)

Sequence modifications

A, B: 13 - 428 (UniProt: P09095)

PDB	External Database	Details
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
Ala 233	Asp 223	conflict
Ser 237	Trp 227	conflict
Leu 323	Pro 313	conflict
Cys 328	Ile 318	conflict
Ser 329	Cys 319	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95125.6
Non-Polymers*	Number of molecules	8
	Total formula weight	1376.0
All*	Total formula weight	96501.5

*Water molecules are not included.