7FQH

Crystal Structure of human Legumain in complex with (2S)-N-[(3S)-5-amino-5-oxopent-1-yn-3-yl]-1-[1-[4-(cyclopropylmethoxy)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, D	Legumain	polymer	444	50877.7	3	UniProt (Q99538) Pfam (PF01650) Pfam (PF20985) In PDB	Homo sapiens (human)	Asparaginyl endopeptidase,Protease,cysteine 1
2	A, B, D	N-[(3S)-5-amino-5-oxopent-1-en-3-yl]-1-{1-[4-(cyclopropylmethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide	non-polymer		425.5	3	Chemie (WR9)
3	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
5		water	water		18.0	88	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 0	-	initiating methionine
Lys 1	-	expression tag
Leu 2	-	expression tag
Cys 3	-	expression tag
Ile 4	-	expression tag
Leu 5	-	expression tag
Leu 6	-	expression tag
Ala 7	-	expression tag
Val 8	-	expression tag
Val 9	-	expression tag
Ala 10	-	expression tag
Phe 11	-	expression tag
Val 12	-	expression tag
Gly 13	-	expression tag
Leu 14	-	expression tag
Ser 15	-	expression tag
Leu 16	-	expression tag
Gly 17	-	expression tag
Snn 147	Asp 147	conflict
Gln 272	Asn 272	conflict
Val 434	-	expression tag
Asp 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
His 442	-	expression tag
His 443	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	152633.0
Non-Polymers*	Number of molecules	7
	Total formula weight	1843.1
All*	Total formula weight	154476.1

*Water molecules are not included.