8R9Y

S1B domain of the PDCoV spike glycoprotein in complex with the 67B12 and 42H3 antibody Fab fragments

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Spike protein	polymer	214	22919.6	1	UniProt (A0A513Q8I8) UniProt (by SIFTS) (A0A0E3U229)	Porcine deltacoronavirus
2	B (B)	67B12 antibody heavy chain	polymer	218	22964.8	1		Homo sapiens
3	C (C)	67B12 antibody light chain	polymer	209	23037.6	1		Homo sapiens
4	D (H)	42H3 antibody heavy chain	polymer	219	23579.7	1		Homo sapiens
5	E (L)	42H3 antibody light chain	polymer	212	23017.6	1		Homo sapiens
6	F (D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
7	G (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)

Sequence modifications

A: 298 - 425 (UniProt: A0A513Q8I8)

PDB	External Database	Details
Met 274	-	initiating methionine
Pro 275	-	expression tag
Met 276	-	expression tag
Gly 277	-	expression tag
Ser 278	-	expression tag
Leu 279	-	expression tag
Gln 280	-	expression tag
Pro 281	-	expression tag
Leu 282	-	expression tag
Ala 283	-	expression tag
Thr 284	-	expression tag
Leu 285	-	expression tag
Tyr 286	-	expression tag
Leu 287	-	expression tag
Leu 288	-	expression tag
Gly 289	-	expression tag
Met 290	-	expression tag
Leu 291	-	expression tag
Val 292	-	expression tag
Ala 293	-	expression tag
Ser 294	-	expression tag
Val 295	-	expression tag
Leu 296	-	expression tag
Ala 297	-	expression tag
Asp 426	-	expression tag
Pro 427	-	expression tag
Asp 428	-	expression tag
Tyr 429	-	expression tag
Lys 430	-	expression tag
Asp 431	-	expression tag
Asp 432	-	expression tag
Asp 433	-	expression tag
Asp 434	-	expression tag
Lys 435	-	expression tag
Ala 436	-	expression tag
Gly 437	-	expression tag
Pro 438	-	expression tag
Gly 439	-	expression tag
Trp 440	-	expression tag
Ser 441	-	expression tag
His 442	-	expression tag
Pro 443	-	expression tag
Gln 444	-	expression tag
Phe 445	-	expression tag
Glu 446	-	expression tag
Lys 447	-	expression tag
Gly 448	-	expression tag
Gly 449	-	expression tag
Gly 450	-	expression tag
Ser 451	-	expression tag
Gly 452	-	expression tag
Gly 453	-	expression tag
Gly 454	-	expression tag
Ser 455	-	expression tag
Gly 456	-	expression tag
Gly 457	-	expression tag
Gly 458	-	expression tag
Ser 459	-	expression tag
Trp 460	-	expression tag
Ser 461	-	expression tag
His 462	-	expression tag
Pro 463	-	expression tag
Gln 464	-	expression tag
Phe 465	-	expression tag
Glu 466	-	expression tag
Lys 467	-	expression tag
Gly 468	-	expression tag
Gly 469	-	expression tag
Gly 470	-	expression tag
Ser 471	-	expression tag
Gly 472	-	expression tag
Gly 473	-	expression tag
Gly 474	-	expression tag
Ser 475	-	expression tag
Gly 476	-	expression tag
Gly 477	-	expression tag
Gly 478	-	expression tag
Ser 479	-	expression tag
Trp 480	-	expression tag
Ser 481	-	expression tag
His 482	-	expression tag
Pro 483	-	expression tag
Gln 484	-	expression tag
Phe 485	-	expression tag
Glu 486	-	expression tag
Lys 487	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	115519.3
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	1
	Total formula weight	221.2
All*	Total formula weight	116164.9

*Water molecules are not included.