4WVI

Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with a substrate peptide (pep2).

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Maltose-binding periplasmic protein,Signal peptidase IB	polymer	533	59189.8	1	UniProt (P0AEY0) UniProt (Q5HHB9) Pfam (PF01547)	Escherichia coli K-12	MBP,MMBP,Maltodextrin-binding protein,SPase IB,Leader peptidase IB
2	B (D)	substrate peptide (pep2)	polymer	11	886.0	1		Staphylococcus aureus
3	C (B)	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	1	In PDB BIRD (PRD_900001) GlyTouCan (G07411ON)		alpha-maltose
4	D, E (A, D)	water	water		18.0	371	Chemie (HOH)

Sequence modifications

A: 13 - 372 (UniProt: P0AEY0)

PDB	External Database	Details
Met 1	-	initiating methionine
Ser 2	-	expression tag
Tyr 3	-	expression tag
Tyr 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
Met 12	-	expression tag
Gln 28	Glu 48	SEE REMARK 999
Tyr 47	Asp 67	SEE REMARK 999
Cys 78	Gln 98	engineered mutation
Gly 143	Lys 163	engineered mutation
Asn 373	Arg 393	SEE REMARK 999
Ala 374	-	linker
Gly 375	-	linker
Ala 376	-	linker

A: 377 - 526 (UniProt: Q5HHB9)

PDB	External Database	Details
Ser 527	-	expression tag
His 528	-	expression tag
Pro 529	-	expression tag
Gln 530	-	expression tag
Phe 531	-	expression tag
Glu 532	-	expression tag
Lys 533	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	60075.8
Branched	Number of molecules	1
	Total formula weight	342.3
All*	Total formula weight	60418.1

*Water molecules are not included.