9JD1

Crystal structure of TMPRSS2 in complex with Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (D)	Transmembrane protease serine 2 catalytic chain	polymer	249	27856.7	1	UniProt (O15393) Pfam (PF00089)	Homo sapiens (human)
2	B (A)	Light chain of Fab	polymer	217	23615.9	1		Homo sapiens
3	C (B)	Heavy chain of Fab	polymer	240	25883.7	1		Homo sapiens
4	D (C)	Transmembrane protease serine 2 non-catalytic chain	polymer	146	16054.7	1	UniProt (O15393) Pfam (PF15494)	Homo sapiens (human)
5	E (E)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G22768VO)
6	F (A)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
7	G, H (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
8	I (C)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
9	J, K, L, M (D, A, B, C)	water	water		18.0	667	Chemie (HOH)

Sequence modifications

D: 256 - 492 (UniProt: O15393)

PDB	External Database	Details
Glu 493	-	expression tag
Phe 494	-	expression tag
Val 495	-	expression tag
Glu 496	-	expression tag
His 497	-	expression tag
His 498	-	expression tag
His 499	-	expression tag
His 500	-	expression tag
His 501	-	expression tag
His 502	-	expression tag
His 503	-	expression tag
His 504	-	expression tag

C: 109 - 254 (UniProt: O15393)

PDB	External Database	Details
Asp 250	Ser 250	engineered mutation
Asp 251	Ser 251	engineered mutation
Asp 252	Arg 252	engineered mutation
Asp 253	Gln 253	engineered mutation
Lys 254	Ser 254	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	93411.0
Branched	Number of molecules	1
	Total formula weight	910.8
Non-Polymers*	Number of molecules	4
	Total formula weight	419.5
All*	Total formula weight	94741.3

*Water molecules are not included.