9Z3J

HCoV-NL63 S2' peptide bound to TMPRSS2 S441A (complexed with the H1H7 Fab and an anti-kappa-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)	HCoV-NL63 S2' peptide	polymer	15	1679.0	1	UniProt (Q6Q1S2)	Human coronavirus NL63
2	B (B)	Inactive TMPRSS2 construct	polymer	519	57816.8	1	UniProt (O15393) Pfam (PF15494) Pfam (PF00089)	Homo sapiens (human)
3	C (H)	H1H7 heavy chain	polymer	223	24054.0	1		Homo sapiens
4	D (L)	H1H7 light chain	polymer	214	23510.1	1		Homo sapiens
5	E (N)	anti-kappa nanobody	polymer	159	17252.1	1		Lama glama
6	F (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G21290RB)
7	G, H, I, J, K (A, B, H, L, N)	water	water		18.0	89	Chemie (HOH)

Sequence modifications

B: -12 - 6 (PDB: 9Z3J)
B: 7 - 109 (PDB: 9Z3J)
B: 110 - 250 (UniProt: O15393)
B: 256 - 492 (UniProt: O15393)

PDB	External Database	Details
Asp 251	-	linker
Asp 252	-	linker
Asp 253	-	linker
Asp 254	-	linker
Lys 255	-	linker
Ala 441	Ser 441	engineered mutation
Cys 447	Thr 447	conflict
Asp 493	-	expression tag
Asp 494	-	expression tag
Asp 495	-	expression tag
Asp 496	-	expression tag
Lys 497	-	expression tag
Ser 498	-	expression tag
Gly 499	-	expression tag
His 500	-	expression tag
His 501	-	expression tag
His 502	-	expression tag
His 503	-	expression tag
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	124311.9
Branched	Number of molecules	1
	Total formula weight	570.5
All*	Total formula weight	124882.5

*Water molecules are not included.