6O6E

Crystal structure of PltF trapped with PltL using a proline adenosine vinylsulfonamide inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	L-proline--[L-prolyl-carrier protein] ligase	polymer	513	56397.7	1	UniProt (Q4KCY5) Pfam (PF00501) Pfam (PF13193)	Pseudomonas protegens Pf-5	L-prolyl-AMP ligase
2	B (E)	Peptidyl carrier protein PltL	polymer	96	11141.7	1	UniProt (Q4KCZ1) Pfam (PF00550)	Pseudomonas protegens Pf-5
3	C, D, E, F, G... (B)	FORMIC ACID	non-polymer		46.0	13	Chemie (FMT)
4	P (B)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
5	Q, R (B)	MALONIC ACID	non-polymer		104.1	2	Chemie (MLA)
6	S (E)	5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine	non-polymer		765.8	1	Chemie (I5M)
7	T, U (B, E)	water	water		18.0	104	Chemie (HOH)

Sequence modifications

B: 1 - 498 (UniProt: Q4KCY5)

PDB	External Database	Details
Lys 499	-	expression tag
Leu 500	-	expression tag
Ala 501	-	expression tag
Ala 502	-	expression tag
Ala 503	-	expression tag
Leu 504	-	expression tag
Glu 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag
His 508	-	expression tag
His 509	-	expression tag
His 510	-	expression tag
His 511	-	expression tag
His 512	-	expression tag
His 513	-	expression tag

E: 1 - 86 (UniProt: Q4KCZ1)

PDB	External Database	Details
Ser 87	-	expression tag
Ala 88	-	expression tag
Leu 89	-	expression tag
Glu 90	-	expression tag
His 91	-	expression tag
His 92	-	expression tag
His 93	-	expression tag
His 94	-	expression tag
His 95	-	expression tag
His 96	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67539.4
Non-Polymers*	Number of molecules	17
	Total formula weight	1694.4
All*	Total formula weight	69233.8

*Water molecules are not included.