7KDE

BG505 SOSIP.664 in complex with the V3-targeting rhesus macaque antibody 1485 and human gp120-gp41 interface antibody 8ANC195

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	HIV-1 Envelope Glycoprotein BG505 SOSIP.664 gp41	polymer	153	17146.5	3	UniProt (Q2N0S6) Pfam (PF00517) In PDB	Human immunodeficiency virus 1 (HIV-1)
2	E, F, G	Envelope glycoprotein gp120	polymer	479	53864.1	3	UniProt (Q2N0S6) Pfam (PF00516) In PDB	Human immunodeficiency virus 1
3	H, J, M	Ab 1485 Heavy Chain	polymer	233	25236.1	3		Homo sapiens
4	O, Q, S	8ANC195 Fab Heavy Chain	polymer	244	26153.3	3		Homo sapiens
5	P, R, T	8ANC195 Fab Light Chain	polymer	215	23460.0	3		Homo sapiens
6	I, L, N	Ab 1485 Light Chain	polymer	216	23167.5	3		Homo sapiens
7	D	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G32152BH)
8	K	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)
9	U, X, Y	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	3	In PDB GlyTouCan (G15407YE)
10	b, V	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		748.7	2	In PDB GlyTouCan (G81315DD)
11	W	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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		1559.4	1	In PDB GlyTouCan (G68668TB)
12	f, Z	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-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 (G46836GH)
13	a, d, g, h, k...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	8	In PDB GlyTouCan (G42666HT)
14	c, j	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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		1397.2	2	In PDB GlyTouCan (G80966KZ)
15	e, i, l	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)
16	n	alpha-D-mannopyranose-(1-2)-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		1073.0	1	In PDB GlyTouCan (G56014GC)
17	E, F, A, G, B...	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	34	Chemie (NAG)

Sequence modifications

A, B, C: 512 - 664 (UniProt: Q2N0S6)

PDB	External Database	Details
Pro 559	Ile 556	engineered mutation
Cys 605	Thr 602	engineered mutation

E, F, G: 33 - 508 (UniProt: Q2N0S6)

PDB	External Database	Details
Asn 332	Thr 330	conflict
Cys 501	Ala 498	conflict
Arg 509	-	expression tag
Arg 510	-	expression tag
Arg 511	-	expression tag
Arg 512	-	expression tag
Arg 513	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	18
	Total formula weight	507082.5
Branched	Number of molecules	24
	Total formula weight	18584.9
Non-Polymers*	Number of molecules	34
	Total formula weight	7521.1
All*	Total formula weight	533188.5

*Water molecules are not included.