9OPR

TMPRSS2 S441A in complex with the H1H7 Fab and anti-kappa light chain nanobody

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Transmembrane protease serine 2	polymer	533	59429.6	1	UniProt (Q12306) UniProt (O15393)	Homo sapiens (human)	Serine protease 10
2	B (H)	H1H7 antibody heavy chain	polymer	220	23720.7	1		Homo sapiens (human)
3	C (L)	H1H7 antibody light chain	polymer	212	23291.8	1		Homo sapiens (human)
4	D (N)	anti-kappa light chain nanobody	polymer	159	17252.1	1		Lama glama (llama)
5	E (B)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB
6	F, G, H, I (A, H, L, N)	water	water		18.0	38	Chemie (HOH)

Sequence modifications

A: 8 - 101 (UniProt: Q12306)

PDB	External Database	Details
Met -12	-	initiating methionine
Thr -11	-	expression tag
Arg -10	-	expression tag
Leu -9	-	expression tag
Thr -8	-	expression tag
Val -7	-	expression tag
Leu -6	-	expression tag
Ala -5	-	expression tag
Leu -4	-	expression tag
Leu -3	-	expression tag
Ala -2	-	expression tag
Gly -1	-	expression tag
Leu 0	-	expression tag
Leu 1	-	expression tag
Ala 2	-	expression tag
Ser 3	-	expression tag
Ser 4	-	expression tag
Arg 5	-	expression tag
Ala 6	-	expression tag
Ser 7	-	expression tag
Asn 102	-	linker
Asp 103	-	linker
Asp 104	-	linker
Asp 105	-	linker
Asp 106	-	linker
Lys 107	-	linker
Thr 108	-	linker
Thr 109	-	linker

A: 110 - 492 (UniProt: O15393)

PDB	External Database	Details
Asp 248	-	insertion
Asp 248	Arg 252	engineered mutation
Asp 248	Gln 253	engineered mutation
Asp 248	Ser 254	engineered mutation
Lys 248	Arg 255	engineered mutation
Ala 441	Ser 441	engineered mutation
Cys 447	Thr 447	engineered mutation
Ser 493	-	expression tag
Gly 494	-	expression tag
Leu 495	-	expression tag
Asn 496	-	expression tag
Asp 497	-	expression tag
Ile 498	-	expression tag
Phe 499	-	expression tag
Glu 500	-	expression tag
Ala 501	-	expression tag
Gln 502	-	expression tag
Lys 503	-	expression tag
Ile 504	-	expression tag
Glu 505	-	expression tag
Trp 506	-	expression tag
His 507	-	expression tag
Glu 508	-	expression tag
Gln 509	-	expression tag
Ser 510	-	expression tag
Gly 511	-	expression tag
His 512	-	expression tag
His 513	-	expression tag
His 514	-	expression tag
His 515	-	expression tag
His 516	-	expression tag
His 517	-	expression tag
His 518	-	expression tag
His 519	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	123694.3
Branched	Number of molecules	1
	Total formula weight	424.4
All*	Total formula weight	124118.7

*Water molecules are not included.