9ATK

BIFUNCTIONAL INHIBITION OF NEUTROPHIL ELASTASE AND CATHEPSIN G by Eap4 of S. aureus

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, F, J (A, D, G, J)	Neutrophil elastase	polymer	218	23319.0	4	UniProt (P08246) Pfam (PF00089)	Homo sapiens (human)	Bone marrow serine protease,Elastase-2,Human leukocyte elastase,HLE,Medullasin,PMN elastase
2	C, E, H, L (C, F, I, L)	Extracellular Adherence Protein	polymer	108	12336.5	4	UniProt (Q99QS1) Pfam (PF03642)	Staphylococcus aureus subsp. aureus Mu50	Protein map
3	D, G, I, K (E, H, B, K)	Cathepsin-G	polymer	223	25397.1	4	UniProt (P08311) Pfam (PF00089)	Homo sapiens (human)
4	M, O, P, Q (M, O, P, Q)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	4	In PDB GlyTouCan (G32152BH)
5	N, R (N, R)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	2	In PDB GlyTouCan (G15407YE)
6	S, T (S, T)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G21290RB)
7	U, V, W, X (E, H, B, K)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
8	AA, BA, CA, DA, EA... (C, E, F, G, H...)	water	water		18.0	767	Chemie (HOH)

Sequence modifications

C, F, I, L: 372 - 476 (UniProt: Q99QS1)

PDB	External Database	Details
Gly 369	-	expression tag
Ser 370	-	expression tag
Thr 371	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	244210.3
Branched	Number of molecules	8
	Total formula weight	5244.9
Non-Polymers*	Number of molecules	4
	Total formula weight	884.8
All*	Total formula weight	250340.0

*Water molecules are not included.