7Y0F

Crystal structure of TMPRSS2 in complex with UK-371804

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, B)	Transmembrane protease serine 2 catalytic chain	polymer	146	16054.7	2	UniProt (O15393) Pfam (PF15494)	Homo sapiens (human)
2	B, D (C, D)	Transmembrane protease serine 2 catalytic chain	polymer	249	27856.7	2	UniProt (O15393) Pfam (PF00089)	Homo sapiens (human)
3	E, H (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
4	F, I (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	G, J (C, D)	2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid	non-polymer		385.8	2	Chemie (I9V)
6	K, L, M, N (A, C, B, D)	water	water		18.0	92	Chemie (HOH)

Sequence modifications

A, B: 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

C, 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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	87822.8
Non-Polymers*	Number of molecules	6
	Total formula weight	1294.2
All*	Total formula weight	89117.0

*Water molecules are not included.