7UGN

Cryo-EM structure of BG24 inferred germline Fabs with germline CDR3s and 10-1074 Fabs in complex with HIV-1 Env immunogen BG505-SOSIPv4.1-GT1 - Class 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C	Envelope glycoprotein gp120	polymer	451	50871.0	3	UniProt (Q2N0S5) Pfam (PF00516) In PDB	Human immunodeficiency virus 1	Env polyprotein
2	D, E, F	Envelope glycoprotein gp41	polymer	129	14676.7	3	UniProt (Q2N0S5) Pfam (PF00517) In PDB	Human immunodeficiency virus 1	Env polyprotein
3	G, H, I	BG24 inferred germline Fab with germline CDR3s heavy chain	polymer	125	13685.2	3		Homo sapiens
4	J, K, L	BG24 inferred germline Fab with germline CDR3s light chain	polymer	106	11212.2	3		Homo sapiens
5	M, N, O	10-1074 Fab heavy chain	polymer	133	14791.4	3		Homo sapiens
6	P, Q, R	10-1074 Fab light chain	polymer	107	11701.0	3		Homo sapiens
7	a, b, d, e, g...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	18	In PDB GlyTouCan (G42666HT)
8	c, k, U	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	3	In PDB GlyTouCan (G22768VO)
9	n, X	alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1235.1	2	In PDB GlyTouCan (G11052OE)
10	f	alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	1	In PDB GlyTouCan (G09724ZC)
11	C, D, E, F, A...	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	15	Chemie (NAG)
12	Q	alpha-D-mannopyranose	non-polymer		180.2	1	Chemie (MAN)

Sequence modifications

A, B, C: 32 - 506 (UniProt: Q2N0S5)

PDB	External Database	Details
-	Glu 61	deletion
-	Thr 62	deletion
Lys 64	Glu 63	conflict
-	Thr 138	deletion
Arg 169	Lys 160	conflict
His 173	Tyr 164	conflict
Ala 174	Ser 165	conflict
Lys 178	Arg 169	conflict
Ile 181	Val 172	conflict
Pro 183	Gln 174	conflict
-	Gly 180	deletion
-	Asn 181	deletion
-	Arg 182	deletion
-	Ser 183	deletion
-	Asn 184	deletion
-	Asn 185	deletion
-	Ser 186	deletion
Thr 189	Lys 188	conflict
Ser 190	Glu 189	conflict
Ala 199	Ser 198	conflict
Asp 276	Asn 275	conflict
Arg 278	Thr 277	conflict
Trp 316	Ala 313	conflict
Asn 332	Thr 330	conflict
Asp 386	Asn 384	conflict
-	Ser 395	deletion
-	Asn 396	deletion
-	Thr 397	deletion
-	Ser 398	deletion
-	Val 399	deletion
-	Gln 400	deletion
-	Gly 401	deletion
-	Ser 402	deletion
-	Asn 403	deletion
-	Ser 404	deletion
-	Thr 405	deletion
-	Gly 406	deletion
Asp 462	Asn 459	conflict
Ser 471	Gly 468	conflict
Cys 501	Ala 498	conflict

D, E, F: 518 - 664 (UniProt: Q2N0S5)

PDB	External Database	Details
-	Gly 544	deletion
-	Ile 545	deletion
-	Val 546	deletion
-	Gln 547	deletion
-	Gln 548	deletion
-	Gln 549	deletion
-	Ser 550	deletion
-	Asn 551	deletion
-	Leu 552	deletion
-	Leu 553	deletion
-	Arg 554	deletion
-	Ala 555	deletion
-	Ile 556	deletion
-	Glu 557	deletion
-	Ala 558	deletion
-	Gln 559	deletion
-	Gln 560	deletion
-	His 561	deletion
Cys 605	Thr 602	conflict

Contents of the asymmetric unit

Polymers	Number of chains	18
	Total formula weight	350813.0
Branched	Number of molecules	24
	Total formula weight	13914.9
Non-Polymers*	Number of molecules	16
	Total formula weight	3498.3
All*	Total formula weight	368226.1

*Water molecules are not included.