9OPQ

TMPRSS2 (S441A) bound to the HCoV-NL63 S2'region genetically fused to the HCoV-HKU1 RBD

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	NL63-S2prime/HKU1-RBD	polymer	376	41123.8	1	UniProt (Q5MQD0) UniProt (Q6Q1S2)	Human coronavirus HKU1	S glycoprotein,E2,Peplomer protein
2	B (B)	Transmembrane protease serine 2	polymer	506	56152.1	1	UniProt (O15393)	Homo sapiens (human)	Serine protease 10
3	C, D, E, F, G... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)

Sequence modifications

A: 320 - 509 (UniProt: Q5MQD0)

PDB	External Database	Details
Met 288	-	initiating methionine
Gly 289	-	expression tag
Ile 290	-	expression tag
Leu 291	-	expression tag
Pro 292	-	expression tag
Ser 293	-	expression tag
Pro 294	-	expression tag
Gly 295	-	expression tag
Met 296	-	expression tag
Pro 297	-	expression tag
Ala 298	-	expression tag
Leu 299	-	expression tag
Leu 300	-	expression tag
Ser 301	-	expression tag
Leu 302	-	expression tag
Val 303	-	expression tag
Ser 304	-	expression tag
Leu 305	-	expression tag
Leu 306	-	expression tag
Ser 307	-	expression tag
Val 308	-	expression tag
Leu 309	-	expression tag
Leu 310	-	expression tag
Met 311	-	expression tag
Gly 312	-	expression tag
Cys 313	-	expression tag
Val 314	-	expression tag
Ala 315	-	expression tag
Glu 316	-	expression tag
Thr 317	-	expression tag
Gly 318	-	expression tag
Thr 319	-	expression tag

A: 867 - 877 (UniProt: Q6Q1S2)

PDB	External Database	Details
Gly 878	-	linker
Ser 879	-	linker
Gly 880	-	linker
Ser 881	-	linker
Gly 882	-	linker
Ser 510	-	linker
Pro 510	-	linker

A: 511 - 614 (UniProt: Q5MQD0)

PDB	External Database	Details
Gly 615	-	expression tag
Ser 616	-	expression tag
Ser 617	-	expression tag
Gly 618	-	expression tag
Gly 619	-	expression tag
Ser 620	-	expression tag
Gly 621	-	expression tag
Leu 622	-	expression tag
Asn 623	-	expression tag
Asp 624	-	expression tag
Ile 625	-	expression tag
Phe 626	-	expression tag
Glu 627	-	expression tag
Ala 628	-	expression tag
Gln 629	-	expression tag
Lys 630	-	expression tag
Ile 631	-	expression tag
Glu 632	-	expression tag
Trp 633	-	expression tag
His 634	-	expression tag
Glu 635	-	expression tag
Gly 636	-	expression tag
Gly 637	-	expression tag
Ser 638	-	expression tag
His 639	-	expression tag
His 640	-	expression tag
His 641	-	expression tag
His 642	-	expression tag
His 643	-	expression tag
His 644	-	expression tag
His 645	-	expression tag
His 646	-	expression tag

B: 110 - 492 (UniProt: O15393)

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
Met 8	-	expression tag
Ser 9	-	expression tag
Asp 10	-	expression tag
Ser 11	-	expression tag
Glu 12	-	expression tag
Val 13	-	expression tag
Asn 14	-	expression tag
Gln 15	-	expression tag
Glu 16	-	expression tag
Ala 17	-	expression tag
Lys 18	-	expression tag
Pro 19	-	expression tag
Glu 20	-	expression tag
Val 21	-	expression tag
Lys 22	-	expression tag
Pro 23	-	expression tag
Glu 24	-	expression tag
Val 25	-	expression tag
Lys 26	-	expression tag
Pro 27	-	expression tag
Glu 28	-	expression tag
Thr 29	-	expression tag
His 30	-	expression tag
Ile 31	-	expression tag
Asn 32	-	expression tag
Leu 33	-	expression tag
Lys 34	-	expression tag
Val 35	-	expression tag
Ser 36	-	expression tag
Asp 37	-	expression tag
Gly 38	-	expression tag
Ser 39	-	expression tag
Ser 40	-	expression tag
Glu 41	-	expression tag
Ile 42	-	expression tag
Phe 43	-	expression tag
Phe 44	-	expression tag
Lys 45	-	expression tag
Ile 46	-	expression tag
Lys 47	-	expression tag
Lys 48	-	expression tag
Thr 49	-	expression tag
Thr 50	-	expression tag
Pro 51	-	expression tag
Leu 52	-	expression tag
Arg 53	-	expression tag
Arg 54	-	expression tag
Leu 55	-	expression tag
Met 56	-	expression tag
Glu 57	-	expression tag
Ala 58	-	expression tag
Phe 59	-	expression tag
Ala 60	-	expression tag
Lys 61	-	expression tag
Arg 62	-	expression tag
Gln 63	-	expression tag
Gly 64	-	expression tag
Lys 65	-	expression tag
Glu 66	-	expression tag
Met 67	-	expression tag
Asp 68	-	expression tag
Ser 69	-	expression tag
Leu 70	-	expression tag
Arg 71	-	expression tag
Phe 72	-	expression tag
Leu 73	-	expression tag
Tyr 74	-	expression tag
Asp 75	-	expression tag
Gly 76	-	expression tag
Ile 77	-	expression tag
Arg 78	-	expression tag
Ile 79	-	expression tag
Gln 80	-	expression tag
Ala 81	-	expression tag
Asp 82	-	expression tag
Gln 83	-	expression tag
Thr 84	-	expression tag
Pro 85	-	expression tag
Glu 86	-	expression tag
Asp 87	-	expression tag
Leu 88	-	expression tag
Asp 89	-	expression tag
Met 90	-	expression tag
Glu 91	-	expression tag
Asp 92	-	expression tag
Asn 93	-	expression tag
Asp 94	-	expression tag
Ile 95	-	expression tag
Ile 96	-	expression tag
Glu 97	-	expression tag
Ala 98	-	expression tag
His 99	-	expression tag
Arg 100	-	expression tag
Glu 101	-	expression tag
Asn 102	-	expression tag
Asp 103	-	expression tag
Asp 104	-	expression tag
Asp 105	-	expression tag
Asp 106	-	expression tag
Lys 107	-	expression tag
Thr 108	-	expression tag
Thr 109	-	expression tag
Asp 250	-	insertion
Asp 250	Arg 252	engineered mutation
Asp 250	Gln 253	engineered mutation
Asp 250	Ser 254	engineered mutation
Lys 250	Arg 255	engineered mutation
Ala 441	Ser 441	engineered mutation
Cys 447	Thr 447	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	97275.9
Non-Polymers*	Number of molecules	6
	Total formula weight	1327.2
All*	Total formula weight	98603.2

*Water molecules are not included.