9OGT

HIV-1 Env BG505 SOSIP.664-His in complex with PGT122 and 3BNC117 Fabs

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, G, M (H, K, P)	3BNC117 Fab heavy chain	polymer	226	24656.5	3		Homo sapiens
2	B, H, N (L, N, R)	3BNC117 Fab light chain	polymer	206	23022.7	3		Homo sapiens
3	C, I, O (G, J, O)	PGT122 Fab heavy chain	polymer	235	25434.7	3		Homo sapiens
4	D, J, P (I, M, Q)	PGT122 Fab light chain	polymer	211	22712.1	3		Homo sapiens
5	E, K, Q (A, C, E)	HIV-1 Envelope Glycoprotein BG505 SOSIP.664 gp120	polymer	516	57946.0	3	UniProt (Q2N0S6)	Human immunodeficiency virus 1
6	F, L, R (B, D, F)	Envelope glycoprotein gp160	polymer	169	18798.2	3	UniProt (A0A6H1VYE7) UniProt (by SIFTS) (A0ABF7PQ88)	Human immunodeficiency virus 1	Env polyprotein
7	CA, EA, GA, JA, LA... (c, e, g, j, l...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	9	In PDB GlyTouCan (G42666HT)
8	AA, HA, T (a, h, T)	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	BA, IA, U (b, i, U)	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	3	In PDB GlyTouCan (G81315DD)
10	DA, KA, W (d, k, W)	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	3	In PDB GlyTouCan (G46836GH)
11	FA, MA, Y (f, m, Y)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		627.6	3	In PDB GlyTouCan (G47362BJ)
12	AB, BB, CB, DB, EB... (C, E, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	30	Chemie (NAG)

Sequence modifications

A, C, E: 31 - 508 (UniProt: Q2N0S6)

PDB	External Database	Details
Met -4	-	expression tag
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
Asn 332	Thr 330	engineered mutation
Cys 501	Ala 498	engineered mutation
Arg 509	-	expression tag
Arg 510	-	expression tag
Arg 511	-	expression tag
Arg 512	-	expression tag
Arg 513	-	expression tag

B, D, F: 512 - 664 (UniProt: A0A6H1VYE7)

PDB	External Database	Details
Pro 559	Ile 556	engineered mutation
Cys 605	Thr 602	engineered mutation
Gly 665	-	expression tag
Ser 666	-	expression tag
Gly 667	-	expression tag
Ser 668	-	expression tag
Gly 669	-	expression tag
Gly 670	-	expression tag
Ser 671	-	expression tag
Gly 672	-	expression tag
His 673	-	expression tag
His 674	-	expression tag
His 675	-	expression tag
His 676	-	expression tag
His 677	-	expression tag
His 678	-	expression tag
His 679	-	expression tag
His 680	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	18
	Total formula weight	517710.1
Branched	Number of molecules	21
	Total formula weight	14386.2
Non-Polymers*	Number of molecules	30
	Total formula weight	6636.2
All*	Total formula weight	538732.6

*Water molecules are not included.