3MUN

APPEP_PEPCLOSE closed state

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Prolyl endopeptidase	polymer	693	77280.8	1	UniProt (Q9X6R4) Pfam (PF02897) Pfam (PF00326)	Aeromonas punctata (Aeromonas caviae)
2	B (B)	beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose	branched		342.3	1	In PDB BIRD (PRD_900003)		sucrose
3	C, D, E, F, G... (A)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4	I, J (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	K (A)	water	water		18.0	403	Chemie (HOH)

Sequence modifications

A: 1 - 690 (UniProt: Q9X6R4)

PDB	External Database	Details
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Trp 83	Arg 83	engineered mutation
Trp 84	Glu 84	engineered mutation
Gln 106	Lys 106	SEE REMARK 999
Gln 242	Asp 242	engineered mutation
Gln 325	His 325	SEE REMARK 999
Gln 326	Arg 326	SEE REMARK 999
Ser 334	Thr 334	SEE REMARK 999
Gly 335	Ala 335	SEE REMARK 999
Arg 348	Pro 348	SEE REMARK 999
Tyr 376	Lys 376	engineered mutation
Trp 377	His 377	engineered mutation
Trp 378	Asp 378	engineered mutation
Thr 577	Ala 577	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	77280.8
Branched	Number of molecules	1
	Total formula weight	342.3
Non-Polymers*	Number of molecules	8
	Total formula weight	760.6
All*	Total formula weight	78383.7

*Water molecules are not included.