6XRO

Crystal structure of GlpG in complex with peptide boronate inhibitor, Ac-KRFRSMQYSA-B(OH)2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Rhomboid protease GlpG	polymer	211	23816.1	1	UniProt (A0A0J2E248) Pfam (PF01694) UniProt (by SIFTS) (P09391)	Escherichia coli	Intramembrane serine protease
2	B (B)	peptide boronate inhibitor	polymer	10	1276.3	1		Drosophila melanogaster
3	C, D (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	E, F (A)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	G, H (A, B)	water	water		18.0	48	Chemie (HOH)

Sequence modifications

A: 87 - 276 (UniProt: A0A0J2E248)

PDB	External Database	Details
Met 66	-	initiating methionine
Gly 67	-	expression tag
Ser 68	-	expression tag
Ser 69	-	expression tag
His 70	-	expression tag
His 71	-	expression tag
His 72	-	expression tag
His 73	-	expression tag
His 74	-	expression tag
His 75	-	expression tag
Ser 76	-	expression tag
Ser 77	-	expression tag
Gly 78	-	expression tag
Leu 79	-	expression tag
Val 80	-	expression tag
Pro 81	-	expression tag
Arg 82	-	expression tag
Gly 83	-	expression tag
Ser 84	-	expression tag
His 85	-	expression tag
Met 86	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	25092.4
Non-Polymers*	Number of molecules	4
	Total formula weight	116.9
All*	Total formula weight	25209.3

*Water molecules are not included.