7THQ

Crystal structure of PltF trapped with PigG 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	B, A	L-proline--[L-prolyl-carrier protein] ligase	polymer	513	56397.7	2	UniProt (Q4KCY5) Pfam (PF00501) Pfam (PF13193) In PDB	Pseudomonas protegens Pf-5	L-prolyl-AMP ligase
2	E, C	Probable acyl carrier protein PigG	polymer	95	10689.0	2	UniProt (Q5W265) In PDB	Serratia sp. ATCC 39006	Peptidyl carrier protein,PCP
3	B, A, C	AZIDE ION	non-polymer		42.0	6	Chemie (AZI)
4	E, C	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	2	Chemie (I5M)
5		water	water		18.0	49	Chemie (HOH)

Sequence modifications

B, A: 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, C: 1 - 87 (UniProt: Q5W265)

PDB	External Database	Details
Trp 88	-	expression tag
Glu 89	-	expression tag
His 90	-	expression tag
His 91	-	expression tag
His 92	-	expression tag
His 93	-	expression tag
His 94	-	expression tag
His 95	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	134173.5
Non-Polymers*	Number of molecules	8
	Total formula weight	1783.7
All*	Total formula weight	135957.3

*Water molecules are not included.