8GJE

HIV-1 Env subtype C CZA97.12 SOSIP.664 in complex with 3BNC117 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, D	CZA97.12 SOSIP.664 Envelope glycoprotein gp120	polymer	503	56995.1	3	UniProt (Q994M9) Pfam (PF00516) In PDB	Human immunodeficiency virus 1
2	B, E, F	CZA97.12 SOSIP.664 Envelope glycoprotein gp41	polymer	153	17279.7	3	UniProt (Q994M9) Pfam (PF00517) In PDB	Human immunodeficiency virus 1
3	H, G, I	3BNC117 Fab heavy chain	polymer	226	24656.5	3		Homo sapiens
4	L, J, K	3BNC117 kappa light chain	polymer	206	23022.7	3		Homo sapiens
5	b, c, e, f, h...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	18	In PDB GlyTouCan (G42666HT)
6	g, O, X	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	3	In PDB GlyTouCan (G32152BH)
7	a, j, R	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)
8	d, m, U	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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		1235.1	3	In PDB GlyTouCan (G55220VL)
9	C, E, J, D, A...	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	33	Chemie (NAG)

Sequence modifications

A, C, D: 31 - 511 (UniProt: Q994M9)

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 485	engineered mutation
Arg 509	Glu 493	engineered mutation
Arg 510	Lys 494	engineered mutation
Arg 512	-	insertion
Arg 513	-	insertion

B, E, F: 512 - 664 (UniProt: Q994M9)

PDB	External Database	Details
Met 535	Leu 519	engineered mutation
Pro 559	Ile 543	engineered mutation
Lys 567	Gln 551	engineered mutation
Cys 605	Thr 589	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	365861.8
Branched	Number of molecules	27
	Total formula weight	18220.7
Non-Polymers*	Number of molecules	33
	Total formula weight	7299.9
All*	Total formula weight	391382.4

*Water molecules are not included.