9E83

TMPRSS2 crystal structure following acylation by UCSF_157

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	Transmembrane protease serine 2	polymer	249	27856.7	1	UniProt (O15393) Pfam (PF00089)	Homo sapiens (human)
2	B (A)	Transmembrane protease serine 2 non-catalytic chain	polymer	110	12292.6	1	UniProt (O15393) Pfam (PF15494)	Homo sapiens (human)
3	C (B)	CITRIC ACID	non-polymer		192.1	1	Chemie (CIT)
4	D, F, G (B)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
5	E (B)	4-(2-aminoethyl)benzoic acid	non-polymer		165.2	1	Chemie (VU4)
6	H (A)	UNKNOWN LIGAND	non-polymer			1	Chemie (UNX)
7	I, J (B, A)	water	water		18.0	203	Chemie (HOH)

Sequence modifications

B: 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

A: 148 - 255 (UniProt: O15393)

PDB	External Database	Details
Ala 146	-	expression tag
Ala 147	-	expression tag
Asp 250	Ser 250	engineered mutation
Asp 251	Ser 251	engineered mutation
Asp 252	Arg 252	engineered mutation
Asp 253	Gln 253	engineered mutation
Asp 254	Ser 254	engineered mutation
Lys 255	Arg 255	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	40149.3
Non-Polymers*	Number of molecules	6
	Total formula weight	543.5
All*	Total formula weight	40692.9

*Water molecules are not included.