6X9T

HIV-1 Envelope Glycoprotein BG505 SOSIP.664 expressed in HEK293S cells in complex with RM20A3 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	HIV-1 Envelope Glycoprotein BG505 SOSIP.664 gp120	polymer	516	57946.0	1	UniProt (Q2N0S6) Pfam (PF00516)	Human immunodeficiency virus 1 (HIV-1)
2	B (B)	HIV-1 Envelope Glycoprotein BG505 SOSIP.664 gp41	polymer	153	17146.5	1	UniProt (Q2N0S6) Pfam (PF00517)	Human immunodeficiency virus 1 (HIV-1)
3	C (H)	RM20A3 Fab Heavy Chain	polymer	125	13511.1	1		Macaca mulatta (Rhesus monkey)
4	D (L)	RM20A3 Fab Light Chain	polymer	128	13508.8	1		Macaca mulatta (Rhesus monkey)
5	E, F, H, I (C, D, F, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
6	G (E)	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	1	In PDB GlyTouCan (G81315DD)
7	J, K, L, M, N... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	17	Chemie (NAG)

Sequence modifications

A: 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: 512 - 664 (UniProt: Q2N0S6)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	102112.4
Branched	Number of molecules	5
	Total formula weight	2446.3
Non-Polymers*	Number of molecules	17
	Total formula weight	3760.5
All*	Total formula weight	108319.2

*Water molecules are not included.