6EDU

B41 SOSIP.664 in complex with soluble CD4 (D1-D2), the co-receptor mimicking antibody 21c and the broadly neutralizing 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 (A, B, C)	Envelope glycoprotein gp160	polymer	153	17357.8	3	UniProt (B3UEZ6) Pfam (PF00517)	Human immunodeficiency virus 1
2	D, E, F (D, E, F)	Envelope glycoprotein gp160	polymer	516	57702.5	3	UniProt (B3UES2) Pfam (PF00516)	Human immunodeficiency virus 1
3	G, H, I (G, H, I)	T-cell surface glycoprotein CD4	polymer	185	20503.3	3	UniProt (P01730) Pfam (PF00047) Pfam (PF05790)	Homo sapiens (Human)	T-cell surface antigen T4/Leu-3
4	J, L, N (J, L, N)	21c Fab VH domain	polymer	231	24619.6	3		Homo sapiens (Human)
5	K, M, O (K, M, O)	21c Fab VL domain	polymer	217	22815.3	3		Homo sapiens (Human)
6	P, R, T (P, R, T)	8ANC195 G52K5 Fab VH domain	polymer	244	26125.3	3		Homo sapiens (Human)
7	Q, S, U (Q, S, U)	8ANC195 G52K5 Fab VL domain	polymer	215	23402.0	3		Homo sapiens (Human)
8	CA, DA, EA, FA, JA... (c, d, e, f, j...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	15	In PDB GlyTouCan (G42666HT)
9	GA, NA, Z (g, n, Z)	alpha-D-mannopyranose-(1-2)-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		910.8	3	In PDB GlyTouCan (G42227JK)
10	AA, HA, OA (a, h, o)	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)
11	BA, IA, PA (b, i, p)	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)
12	TA, UA, VA (t, u, v)	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	3	In PDB GlyTouCan (G68668TB)
13	AB, BB, CB, DB, EB... (D, E, F, A, B...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	27	Chemie (NAG)

Sequence modifications

A, B, C: 512 - 664 (UniProt: B3UEZ6)

PDB	External Database	Details
Pro 559	Ile 563	conflict
Cys 605	Thr 609	conflict

D, E, F: 31 - 505 (UniProt: B3UES2)

PDB	External Database	Details
Met -4	-	initiating methionine
Asp -3	-	expression tag
Ala -2	-	expression tag
Met -1	-	expression tag
Lys 0	-	expression tag
Arg 1	-	expression tag
Gly 2	-	expression tag
Leu 3	-	expression tag
Cys 4	-	expression tag
Cys 5	-	expression tag
Val 6	-	expression tag
Leu 7	-	expression tag
Leu 8	-	expression tag
Leu 9	-	expression tag
Cys 10	-	expression tag
Gly 11	-	expression tag
Ala 12	-	expression tag
Val 13	-	expression tag
Phe 14	-	expression tag
Val 15	-	expression tag
Ser 16	-	expression tag
Pro 17	-	expression tag
Ser 18	-	expression tag
Gln 19	-	expression tag
Glu 20	-	expression tag
Ile 21	-	expression tag
His 22	-	expression tag
Ala 23	-	expression tag
Arg 24	-	expression tag
Phe 25	-	expression tag
Arg 26	-	expression tag
Arg 27	-	expression tag
Gly 28	-	expression tag
Ala 29	-	expression tag
Arg 30	-	expression tag
Cys 501	Ala 505	conflict

G, H, I: 1 - 183 (UniProt: P01730)

PDB	External Database	Details
Asn 184	-	expression tag
Thr 185	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	21
	Total formula weight	577577.0
Branched	Number of molecules	27
	Total formula weight	18268.7
Non-Polymers*	Number of molecules	27
	Total formula weight	5972.6
All*	Total formula weight	601818.3

*Water molecules are not included.