4FGU

Crystal structure of prolegumain

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Legumain	polymer	429	49205.5	2	UniProt (Q99538) Pfam (PF01650) Pfam (PF20985)	Homo sapiens (human)	Asparaginyl endopeptidase, Protease, cysteine 1
2	C, D (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	E, F (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
4	G, H (A, B)	water	water		18.0	56	Chemie (HOH)

Sequence modifications

A, B: 18 - 433 (UniProt: Q99538)

PDB	External Database	Details
Gly 13	-	expression tag
Ala 14	-	expression tag
Ser 15	-	expression tag
Leu 16	-	expression tag
Glu 17	-	expression tag
Ile 18	Val 18	variant
Gln 272	Asn 272	engineered mutation
Gly 434	-	expression tag
Thr 435	-	expression tag
His 436	-	expression tag
His 437	-	expression tag
His 438	-	expression tag
His 439	-	expression tag
His 440	-	expression tag
His 441	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	98410.9
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	2
	Total formula weight	442.4
All*	Total formula weight	99702.2

*Water molecules are not included.