5UTY

Crystal Structure of a Stabilized DS-SOSIP.mut4 BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, N300M, N302M, T320L in Complex with Human Antibodies PGT122 and 35O22 at 4.1 Angstrom

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B	HIV-1 BG505 strain Env gp41	polymer	153	17146.5	1	UniProt (Q2N0S6) Pfam (PF00517) In PDB	Human immunodeficiency virus 1	Envelope glycoprotein gp160
2	D	35O22 Fab heavy chain	polymer	243	26170.5	1		Homo sapiens (Human)
3	E	35O22 Fab light chain	polymer	216	23318.8	1		Homo sapiens (Human)
4	G	HIV-1 BG505 strain Env gp120	polymer	505	56622.7	1	UniProt (Q2N0S6) Pfam (PF00516) In PDB	Human immunodeficiency virus 1	Envelope glycoprotein gp160
5	H	PGT122 Fab heavy chain	polymer	235	25434.7	1		Homo sapiens (Human)
6	L	PGT122 Fab light chain	polymer	208	22392.7	1		Homo sapiens (Human)
7	A	alpha-D-mannopyranose-(1-3)-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		1073.0	1	In PDB GlyTouCan (G09724ZC)
8	C	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)
9	F	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	1	In PDB GlyTouCan (G22768VO)
10	I, J, K, N, O...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	9	In PDB GlyTouCan (G42666HT)
11	M	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)
12	P	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-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		1721.5	1	In PDB GlyTouCan (G91704UR)
13	G, H, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)

Sequence modifications

B: 512 - 664 (UniProt: Q2N0S6)

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

G: 30 - 508 (UniProt: Q2N0S6)

PDB	External Database	Details
Met 7	-	initiating methionine
Pro 8	-	expression tag
Met 9	-	expression tag
Gly 10	-	expression tag
Ser 11	-	expression tag
Leu 12	-	expression tag
Gln 13	-	expression tag
Pro 14	-	expression tag
Leu 15	-	expression tag
Ala 16	-	expression tag
Thr 17	-	expression tag
Leu 18	-	expression tag
Tyr 19	-	expression tag
Leu 20	-	expression tag
Leu 21	-	expression tag
Gly 22	-	expression tag
Met 23	-	expression tag
Leu 24	-	expression tag
Val 25	-	expression tag
Ala 26	-	expression tag
Ser 27	-	expression tag
Val 28	-	expression tag
Leu 29	-	expression tag
Met 154	Leu 145	engineered mutation
Cys 201	Ile 200	engineered mutation
Met 300	Asn 299	engineered mutation
Met 302	Asn 301	engineered mutation
Leu 320	Thr 317	engineered mutation
Asn 332	Thr 330	engineered mutation
Cys 433	Ala 430	engineered mutation
Cys 501	Ala 498	engineered mutation
Arg 509	-	insertion
Arg 510	-	insertion
Arg 511	-	insertion
Arg 512	-	insertion
Arg 513	-	insertion

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	171085.9
Branched	Number of molecules	14
	Total formula weight	9346.6
Non-Polymers*	Number of molecules	8
	Total formula weight	1769.7
All*	Total formula weight	182202.2

*Water molecules are not included.